atrazine

中文别名：阿特拉津
中文释义：莠去津;阿特拉津;6-氯-N2-乙基-N4-异丙基-1,3,5-三嗪-2,4-二胺;2-氯-4-乙胺基-6-异丙氨基-1,3,5-三嗪;园保净;莠去尽;阿特拉嗪
英文别名：atrazine;
Cyazin;
2-chloro-4-ethylamino-6-isopropylamine-s-triazine;
A 361;
2-chloro-4-ethylamino-6-isopropylamino-s-triazine;
BICEP;
2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine;
6-chloro-N2-ethyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine;
Fogard;
Inakor;
Atrex;
Aatram;
2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine;
ATZ;
6-chloro-N2-ethyl-N4-isopropyl-1,3,5-triazine-2,4-diamine;
Wonuk;
6-chloro-N-ethyl-N’-(1-methylethyl)-1,3,5-triazine-2,4-diamine;
2-chloro-6-ethylamino-4-isopropylamino-1,3,5-triazine;
Atred;
Atrazine
cas No.：1912-24-9
分子式：C₈H₁₄ClN₅
分子量：215.68
精确分子量：215.09400
PSA：62.73000
MDL：MFCD00041810
InChI：InChI=1/C8H16ClN5/c1-4-10-7-5-8(11-6(2)3)13-14(9)12-7/h5-6,11,13H,4H2,1-3H3,(H,10,12)
分子结构式：

物化性质

外观与性状：

无色晶体或白色粉末

密度：

1.187

熔点：

175°C

沸点：

200°C

闪点：

11 °C

水溶解性：

Slightly soluble. 0.007 g/100 mL

折射率：

1.589

蒸汽压：

0.00156mmHg at 25°C

存储条件/存储方法：

库房通风低温干燥,与食品原料分开储运

稳定性相关：

如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物

致畸、致癌试验阴性。对鸟类和鱼类低毒。对眼睛无刺激性，对皮肤有轻微刺激。

其它信息：

1. 性状：白色结晶。

2. 密度（g/mL,20ºC）：1.2

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：175～177

5. 沸点（ºC）：200

6. 沸点（ºC，20mmHg）：未确定

7. 折射率：未确定

8. 闪点（°C）：11

9. 比旋光度（ºF）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,25ºC）：4.0×10^-5

12. 饱和蒸气压（kPa,40ºC）：0.399×10-7(20℃)

13. 燃烧热（KJ/mol）：未确定

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：难溶于水的

安全信息

外观与性状：

无色晶体或白色粉末

密度：

1.187

熔点：

175°C

沸点：

200°C

闪点：

11 °C

水溶解性：

Slightly soluble. 0.007 g/100 mL

折射率：

1.589

蒸汽压：

0.00156mmHg at 25°C

存储条件/存储方法：

库房通风低温干燥,与食品原料分开储运

稳定性相关：

如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物

致畸、致癌试验阴性。对鸟类和鱼类低毒。对眼睛无刺激性，对皮肤有轻微刺激。

其它信息：

1. 性状：白色结晶。

2. 密度（g/mL,20ºC）：1.2

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：175～177

5. 沸点（ºC）：200

6. 沸点（ºC，20mmHg）：未确定

7. 折射率：未确定

8. 闪点（°C）：11

9. 比旋光度（ºF）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,25ºC）：4.0×10^-5

12. 饱和蒸气压（kPa,40ºC）：0.399×10-7(20℃)

13. 燃烧热（KJ/mol）：未确定

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：难溶于水的

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XY5600000

CHEMICAL NAME :: s-Triazine, 2-chloro-4-ethylamino-6-isopropylamino-

CAS REGISTRY NUMBER :: 1912-24-9

LAST UPDATED :: 199806

DATA ITEMS CITED :: 83

MOLECULAR FORMULA :: C8-H14-Cl-N5

MOLECULAR WEIGHT :: 215.72

WISWESSER LINE NOTATION :: T6N CN ENJ BMY1&1 DM2 FG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Mammal - species unspecified

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Mammal - species unspecified

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 672 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5200 mg/m3/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >12500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 235 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 850 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 626 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 750 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 7500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - hamster

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 1400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 33572 mg/kg/22W-I

TOXIC EFFECTS :: Liver - other changes Blood - pigmented or nucleated red blood cells Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2800 mg/kg/14D-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - proteinuria Kidney, Ureter, Bladder - other changes in urine composition Blood - other changes

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4200 mg/kg/7D-I

TOXIC EFFECTS :: Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 10 mg/m3/26W-I

TOXIC EFFECTS :: Liver - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2100 mg/kg/21D-I

TOXIC EFFECTS :: Liver - changes in liver weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 25 gm/kg/25D-C

TOXIC EFFECTS :: Blood - other changes Skin and Appendages - dermatitis, other (after systemic exposure)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - pig

DOSE/DURATION :: 38 mg/kg/19D-I

TOXIC EFFECTS :: Endocrine - changes in luteinizing hormone Endocrine - effect on menstrual cycle

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 33775 mg/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia Reproductive - Tumorigenic effects - uterine tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 9000 mg/kg/78W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 7 gm/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 700 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - other effects Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 720 mg/kg

SEX/DURATION :: female 10 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - other effects Reproductive - Effects on Newborn - behavioral

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 2400 mg/kg

SEX/DURATION :: female 3-9 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 6 gm/kg

SEX/DURATION :: female 3-9 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 418 mg/kg

SEX/DURATION :: female 6-14 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 975 mg/kg

SEX/DURATION :: female 7-19 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 975 mg/kg

SEX/DURATION :: female 7-19 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: Specific locus test

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TYPE OF TEST :: Dominant lethal test

TYPE OF TEST :: Dominant lethal test

TYPE OF TEST :: DNA damage

TYPE OF TEST :: Mutation test systems - not otherwise specified

TYPE OF TEST :: Cytogenetic analysis

TYPE OF TEST :: Dominant lethal test

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Rodent - hamster Lung

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 74,77,1980 *** REVIEWS *** ACGIH TLV-Not classifiable as a human carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 5 mg/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 53,441,1991 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 53,441,1991 IARC Cancer Review:Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 53,441,1991 TOXICOLOGY REVIEW CNDQA8 Cahiers de Nutrition et de Dietetique. (Editions Meteore, 42, rue du Louvre, 75001 Paris, France) V.1- 1966- Volume(issue)/page/year: 10(3),43,1975 TOXICOLOGY REVIEW DTTIAF Deutsche Tieraerztliche Wochenschrift. (Hanover, Fed. Rep. Ger.) V.1-77, 1893-1970. Volume(issue)/page/year: 80,485,1973 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 5 mg/m3 JAN 1993 OEL-AUSTRIA:TWA 2 mg/m3 JAN 1993 OEL-BELGIUM:TWA 5 mg/m3 JAN 1993 OEL-DENMARK:TWA 2 mg/m3 JAN 1993 OEL-FINLAND:TWA 10 mg/m3;STEL 20 mg/m3 JAN 1993 OEL-FRANCE:TWA 5 mg/m3 JAN 1993 OEL-GERMANY:TWA 2 mg/m3 (total dust) JAN 1993 OEL-THE NETHERLANDS:TWA 5 mg/m3 JAN 1993 OEL-RUSSIA:STEL 2 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 2 mg/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 10 mg/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO ATRAZINE-air:10H TWA 5 mg/m3REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 18420 No. of Facilities: 165 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 331 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 18420 No. of Facilities: 44 (estimated) No. of Industries: 1 No. of Occupations: 9 No. of Employees: 1001 (estimated) No. of Female Employees: 123 (estimated)

毒理学数据：: 大鼠经口LD50为3000mg/kg，小鼠为1750mg/kg，兔经皮LD50为7500mg/kg。以含1000mg/kg的饲料喂养大鼠2年，未见异常。

生态数据：: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

MSDS

国标编号:	61898
ＣＡＳ:	1912-24-9
中文名称:	阿特拉津
英文名称:	Atrazine；2-Chloro-4-ethylamino-6-isopropylamino-s-triazine
别名:	2-氯-4-乙氨基-6-异丙氨基-1，3，5-三嗪；莠去津
分子式:	C₈H₁₄ClN₅
分子量:	215.72
熔点:	171～174℃
密度:	相对密度(水=1)1.2(20
蒸汽压:
溶解性:	难溶于水，微溶于多数有机溶剂
稳定性:	稳定
外观与性状:	纯品为无色结晶，原药为白色粉末
危险标记:	15(有害品，远离食品)
用途:	农用除草剂

2.对环境的影响:

一、健康危害

侵入途径：吸入、食入、经皮吸收。健康危害：本品对皮肤和眼睛有刺激作用。属低毒除草剂。动物实验致癌、致畸为阳性。对人有致突变作用。

二、毒理学资料及环境行为

急性毒性：LD50672mg/kg(大鼠经口)；850mg/kg(小鼠经口)；750mg/kg(兔经口)；7500mg/kg(兔经皮) 刺激性：人经皮500mg，中等刺激；人经眼100mg，严重刺激。

危险特性：不易燃烧。受高热分解，放出有毒的烟。燃烧(分解)产物：一氧化碳、二氧化碳、氮氧化物、氯化氢。

3.现场应急监测方法:

4.实验室监测方法:

气相色谱法《水和废水标准检验方法》15版，中国建筑工业出版社，1985年高效液相色谱法(中国环境监测总站，水质)

5.环境标准:

前苏联	车间空气中有害物质的最高容许浓度	2mg/m³
前苏联(1978)	环境空气中最高容许浓度	0.02mg/m³
^{中国(GHZB1-1999)}	^{地面水环境质量标准(I、II、III类水域)}	^0.003mg/L
前苏联(1978)	渔业用水中最高容许浓度	5μg/L

6.应急处理处置方法:

一、泄漏应急处理

隔离泄漏污染区，周围设警告标志，建议应急处理人员戴自给式呼吸器，穿化学防护服。不要直接接触泄漏物，小心扫起，避免扬尘，运至废物处理场所。用水刷洗泄漏污染区，经稀释的污水放入废水系统。如大量泄漏，收集回收或无害处理后废弃。

二、防护措施

呼吸系统防护：生产操作或农业使用时，必须佩戴防毒口罩。紧急事态抢救或逃生时，应该佩戴自给式呼吸器。眼睛防护：戴化学安全防护眼镜。防护服：穿相应的防护服。手防护：戴防护手套。其它：工作现场禁止吸烟、进食和饮水。工作后，淋浴更衣。注意个人清洁卫生。实行就业前和定期的体检。

三、急救措施

皮肤接触：用肥皂水及清水彻底冲洗。就医。眼睛接触：拉开眼睑，用流动清水冲洗15分钟。就医。吸入：脱离现场至空气新鲜处。就医。食入：误服者，饮适量温水，催吐。洗胃。就医。

灭火方法：泡沫、干粉、砂土。

海关数据

中国海关编码：2933699011

概述：: 2933699011 西玛津,莠去津,扑灭津,草达津等〔包括特丁津,氰草津,环丙津,甘扑津,甘草津〕。监管条件:S(进出口农药登记证明)。增值税率:17.0%。退税率:9.0%。最低关税:6.5%。普通关税:20.0%
申报要素：: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
监管条件：: S.进出口农药登记证明
摘要/Summary：: 2933699011 2-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-2-methylpropanenitrile。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:20.0%

分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:2

3.氢键受体数量:5

4.可旋转化学键数量:4

5.互变异构体数量:9

6.拓扑分子极性表面积62.7

7.重原子数量:14

8.表面电荷:0

9.复杂度:166

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1