3-Bromo-7h-Benz(de)Anthracen-7-on 3-溴代苯绕蒽酮

CAS 81-96-9 MFCD00021094

化学结构图

81-96-9
SMILES: O=C1c2ccccc2-c2ccc(Br)c3cccc1c23

化学属性

Mol. FormulaC17H9BrO
Mol. Weight309.15676
Melting Point164-166 °C
TSCAYes
Appearance 黄色针状结晶。 不溶于水。
Boiling Point483.0±14.0 °C at 760 mmHg

别名和识别编码

Chemical Name3-Bromo-7h-Benz(de)Anthracen-7-on
Synonym 3-Bromo-7H-benzo[de]anthracen-7-one {LY} 3-Bromo-7H-benzo[de]anthracen-7-one {} {LY} 3-Bromo-7H-benzo[de]anthracen-7-one {} {} {LY} 3-Bromo-7H-benzo[de]anthracen-7-one {} {} {} {LY} 3-Bromo-7H-benzo[de]anthracen-7-one {} {} {} {} {LY} 3-Bromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {LY} 3-Bromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {LY} 3-Bromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {} {} {LY} 3-Bromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {} {} {} {LY} 3-Bromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromo-7H-benzo[de]anthra
MDL NumberMFCD00021094
CAS Number81-96-9
EC Number201-390-7
Beilstein Registry Number1975512
Chemical Name Translation3-溴代苯绕蒽酮
InChIKeyWVECFEIAZAKUNF-UHFFFAOYSA-N
Wiswesser Line NotationL C6666 1A Q IVJ OE
PubChem Substance ID6696
InChIInChI=1S/C17H9BrO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H
LabNetwork Molecule IDLN00243643
Canonical SMILESO=C1C2=CC=CC3=C(Br)C=CC(C4=C1C=CC=C4)=C23
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; 12ring; 14ring; 16ring; ketone; 1fragment

相关文献及参考

  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

RTECSCX5077000
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 300 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 - rat
DOSE/DURATION           : 2400 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

Storage condition

其他信息

  • 灭火剂:水, 二氧化碳, 沙土, 干粉, 泡沫
  • 可燃性危险特性:热分解排出有毒溴化物烟雾
  • 储运特性:库房通风低温干燥
  • 下游产品:溶剂橙 63
  • 急性毒性:腹腔-大鼠 LD50: 2400 毫克/公斤; 腹腔-小鼠 LD50: 300 毫克/公斤
  • 上游原料:苯并蒽酮
  • 毒性分级:中毒
  • 方法一:由苯绕蒽酮溴化而得。原料消耗定额：苯绕蒽酮950kg/t、溴素（≥98%）315kg/t。
  • 3-溴代苯绕蒽酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L07422 3-溴苯并蒽酮, tech. 85% 3-Bromobenzanthrone, tech. 85% 25g 951元 2010/05/25 L07422 3-溴苯并蒽酮, tech. 85% 3-Bromobenzanthrone, tech. 85% 100g 2786元
  • 刺激数据:眼睛-兔 500 毫克/24小时 轻度
  • MOL 文件:81-96-9.mol
  • 用途二:染料中间体。用于还原灰3T、还原橄榄绿B等。
  • 用途一:用作染料还原灰3T和还原橄榄绿B的中间体
  • 类别:有毒物质
  • Sigma Aldrich:81-96-9(sigmaaldrich)
  • MSDS 信息:3-Bromobenzanthrone(81-96-9).msds
  • Alfa Aesar:3-溴苯并蒽酮,tech.85% 3-Bromobenzanthrone, tech. 85%(81-96-9)

系列性分类

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