7H-Benz[de]anthracen-7-one,3,9-dibromo-
- 中文别名：正庚基硫酸钠
- 中文释义：3,9-二溴苯并蒽酮;3,9-二溴-7H-苯并[DE]蒽-7-酮;3,9-二溴苯绕蒽酮
- 英文别名：3,9-dibromobenzo[b]phenalen-7-one;
3,9-dibromo-7H-benz(de)anthracen-7-one;
2,7-Dibromomesobenzanthrone;
3,9-dibromo-benzanthracen-7-one;
EINECS 201-391-2;
2,7-Dibrommesobenzanthron;
3,9-Dibromobenzanthrone;
3,9-Dibrom-benz[de]anthracen-7-on;
3,9-Dibrombenzanthrone;
3.9-Dibrom-benzanthron;
3,9-dibromo-benz[de]anthracen-7-one;
Benzanthrone,3,9-dibromo;
6-Bz-1-Dibrombenzanthron [Czech];
6-Bz-1-dibrombenzanthron
- CAS No.：81-98-1
- 分子式：C17H8Br2O
- 分子量：388.05
- 精确分子量：385.89400
- PSA：17.07000
- InChI：The Key: XBZKJGBIPSQKAU-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 外观与性状：
- 棕色至绿色粉末
- 密度：
- 1.836g/cm3
- 熔点：
- 255-256ºC
- 沸点：
- 535.5ºC at 760 mmHg
- 闪点：
- 178.2ºC
- 折射率：
- 1.762
安全信息
- 外观与性状：
- 棕色至绿色粉末
- 密度：
- 1.836g/cm3
- 熔点：
- 255-256ºC
- 沸点：
- 535.5ºC at 760 mmHg
- 闪点：
- 178.2ºC
- 折射率：
- 1.762
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CX5081000
- CHEMICAL NAME :
- 7H-Benz(de)anthracen-7-one, 3,9-dibromo-
- CAS REGISTRY NUMBER :
- 81-98-1
- BEILSTEIN REFERENCE NO. :
- 2055712
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C17-H8-Br2-O
- MOLECULAR WEIGHT :
- 388.07
- WISWESSER LINE NOTATION :
- L C6666 1A Q IVJ FE OE
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,567,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4900 mg/kg
- TOXIC EFFECTS :
- Blood - normocytic anemia Blood - methemoglobinemia-carboxyhemoglobin
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 40,137,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1410 mg/kg
- TOXIC EFFECTS :
- Blood - normocytic anemia Blood - methemoglobinemia-carboxyhemoglobin
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 40,137,1977 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 49 gm/kg/30D-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 40,137,1977 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.2 mg/m3 JAN 1993
海关数据
中国海关编码：2914700090
- 概述：
- 2914700090 其他酮及醌的卤化、磺化衍生物（包括硝化和亚硝化衍生物）. 增值税率:17.0% 退税率:9.0% 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：
- HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%
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）:5.7
2.氢键供体数量:0
3.氢键受体数量:1
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:17.1
7.重原子数量:20
8.表面电荷:0
9.复杂度:410
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
