4,4'-双(7H-苯并[de]蒽-7-酮
- 中文名称:
- 4,4'-双(7H-苯并[de]蒽-7-酮
- 中文别名:
- 4,4'-双(7H-苯并[de]蒽-7-酮
- 英文名称:
- [4,4'-Bi-7H-benz[de]anthracene]-7,7'-dione
- 英文别名:
- 4-(7-oxobenzo[a]phenalen-4-yl)benzo[a]phenalen-7-one;
[4,4']Bi(benz[de]anthracenyl)-7,7'-dion;
4,4'-Dibenzanthronil;
Dibenzonyl;
[4,4']bi[benz[de]anthracenyl]-7,7'-dione;
<2.2'>Bibenzanthronyl;
4,4'-Dibenzanthronyl;
4,4'-Di-7H-benz(de)anthracen-7-one;
EINECS 204-164-6;
4,4'-bibenzanthronyl;
Dibenzanthronyl-(2.2');
7H-Benz(de)anthracen-7-one,4,4'-di;
Benzanthronyl;
[4,4'-bi-7H-benz(de)anthracene]-7,7'-dione
- CAS No.:
- 116-90-5
- 分 子 式:
-
C34H18O2
- 分 子 量:
- 458.52
- 精确分子量:
- 458.13100
- PSA:
- 34.14000
- EINECS:
- 204-164-6
- InChI:
- The Key: FEQOTXWZPMPKGW-UHFFFAOYSA-N3
- 安全术语:
- Moderately toxic by intraperitoneal route. A severe eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
- 分子结构式:
-
- SDS:
- 查看
4,4'-双(7H-苯并[de]蒽-7-酮 物化性质
- 密度:
- 1.373g/cm3
- 沸点:
- 712.2ºC at 760 mmHg
- 闪点:
- 252.5ºC
- 折射率:
- 1.793
- 蒸汽压:
- 3.95E-20mmHg at 25°C
4,4'-双(7H-苯并[de]蒽-7-酮 安全信息
4,4'-双(7H-苯并[de]蒽-7-酮 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CX5079000
- CHEMICAL NAME :
- 7H-Benz(de)anthracen-7-one, 4,4'-di-
- CAS REGISTRY NUMBER :
- 116-90-5
- BEILSTEIN REFERENCE NO. :
- 2024432
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C34-H18-O2
- MOLECULAR WEIGHT :
- 458.52
- WISWESSER LINE NOTATION :
- L C6666 1A Q IVJ M- ML C6666 1A Q IVJ
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: -,297,1986
** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- 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 :
- 1100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- 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 :
- 24 gm/kg/30D-I
- TOXIC EFFECTS :
- Blood - other changes
Blood - changes in other cell count (unspecified)
Blood - changes in erythrocyte (RBC) count
- 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
4,4'-双(7H-苯并[de]蒽-7-酮 海关数据
中国海关编码:2914690090
- 概述:
- 2914690090 其他醌. 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%
- 摘要/Summary:
- 2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%
4,4'-双(7H-苯并[de]蒽-7-酮 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:141.87
2、 摩尔体积(cm3/mol):333.7
3、 等张比容(90.2K):955.6
4、 表面张力(dyne/cm):67.2
5、 极化率(10-24cm3):56.24
计算化学数据
1.疏水参数计算参考值(XlogP):8.3
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:1
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:36
8.表面电荷:0
9.复杂度:820
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
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