- 中文别名：还原黄4
- 中文释义：还原黄4;还原黄CK;士林金黄GK;二苯并[B,DEF]屈-7,14-二酮
- 英文别名：C.I. Vat Yellow 4;
Helanthrene Yellow;
Dibenzpyrenequinone;
Tyrion Yellow;
dibenzochrysenedione;
dibenzopyrene-7,14-quinone;
Vat Yellow ZhKh;
7,14-dihydrodibenzo[b,i]pyren-7,14-dione;
Dibenzopyrene-7,14-dione;
dibenzo[b,def]chrysene-7,14-dione;
dibenzopyrenequinnone;
Golden Yellow ZhKh;
Yellow GK base;
Vat Golden Yellow;
Tinon Golden Yellow;
Vat yellow 4 - cas No.：128-66-5
- 分子式：
C24H12O2
- 分子量：332.35
- 精确分子量：332.08400
- PSA：34.14000
- InChI：The Key: ZTWQZJLUUZHJGS-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 外观与性状：
- 黏的橙色液体
- 密度：
- 1.418 g/cm3
- 沸点：
- 606.7ºC at 760 mmHg
- 闪点：
- 219.9ºC
- 折射率：
- 1.792
- 蒸汽压：
- 1.15E-14mmHg at 25°C
- 稳定性相关：
黄色粉状，不溶于水，溶于二甲苯、硝基苯和四氢化萘，微溶于丙酮、乙醇、苯、氯仿、甲苯、吡啶、邻氯苯酚。在浓硫酸中呈红光青莲色，稀释后成橙色沉淀。在碱性保佑险粉还原液中呈枣红色，在酸性液中呈金黄色。属蒽醌系还原染料。具有严重光脆性。
安全信息
- 外观与性状：
- 黏的橙色液体
- 密度：
- 1.418 g/cm3
- 沸点：
- 606.7ºC at 760 mmHg
- 闪点：
- 219.9ºC
- 折射率：
- 1.792
- 蒸汽压：
- 1.15E-14mmHg at 25°C
- 稳定性相关：
黄色粉状，不溶于水，溶于二甲苯、硝基苯和四氢化萘，微溶于丙酮、乙醇、苯、氯仿、甲苯、吡啶、邻氯苯酚。在浓硫酸中呈红光青莲色，稀释后成橙色沉淀。在碱性保佑险粉还原液中呈枣红色，在酸性液中呈金黄色。属蒽醌系还原染料。具有严重光脆性。
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- HO7030000
- CHEMICAL NAME :
- Dibenzo(b,def)chrysene-7,14-dione
- CAS REGISTRY NUMBER :
- 128-66-5
- BEILSTEIN REFERENCE NO. :
- 2000679
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 11
- MOLECULAR FORMULA :
- C24-H12-O2
- MOLECULAR WEIGHT :
- 332.36
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 27(4),54,1983
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2270 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 27(4),54,1983 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 79500 mg/kg/6W-I
- TOXIC EFFECTS :
- Liver - liver function tests impaired Blood - pigmented or nucleated red blood cells Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 27(4),54,1983 ** TUMORIGENIC DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 7420 gm/kg/2Y-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Blood - lymphoma, including Hodgkin's disease
- REFERENCE :
- NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD) No.0-205. For publisher information, see NTPTR*. Volume(issue)/page/year: NCI-TR-134,1979
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2225 gm/kg/106W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - lymphoma, including Hodgkin's disease
- REFERENCE :
- NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD) No.0-205. For publisher information, see NTPTR*. Volume(issue)/page/year: NCI-TR-134,1979 *** REVIEWS *** 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: 48,161,1990 IARC Cancer Review:Human No Adequate Data 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: 48,161,1990 IARC Cancer Review:Group 3 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: 48,161,1990
海关数据
中国海关编码：2914399090
- 概述：
- 2914399090. 其他不含其他含氧基的芳香酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途, 丙酮报明包装
- 摘要/Summary：
- 2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：99.44
2、 摩尔体积（cm3/mol）：234.3
3、 等张比容（90.2K）：678.7
4、 表面张力（dyne/cm）：70.3
5、 极化率（10-24cm3）：39.42
计算化学数据
1.疏水参数计算参考值（XlogP）:5.4
2.氢键供体数量:0
3.氢键受体数量:2
4.可旋转化学键数量:0
5.互变异构体数量:无
6.拓扑分子极性表面积34.1
7.重原子数量:26
8.表面电荷:0
9.复杂度:570
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