7H-Benz(de)anthracen-7-one, 3,9-dibromo- 3,9-二溴-7H-苯并[de]蒽-7-酮

CAS 81-98-1 MFCD00021092

化学结构图

81-98-1
SMILES: O=C1c2cc(Br)ccc2-c2ccc(Br)c3cccc1c23

化学属性

Mol. FormulaC17H8Br2O
Mol. Weight388.05
Appearance 黄色针晶。 溶于氯苯、三氯醋酸、硝酸，不溶于水和乙醇。
Melting Point255-256 °C
Boiling Point535.5±33.0 °C at 760 mmHg

别名和识别编码

Chemical Name7H-Benz(de)anthracen-7-one, 3,9-dibromo-
EC Number201-391-2
Synonym 3,9-Dibromo-7H-benzo[de]anthracen-7-one {LY} 3,9-Dibromo-7H-benzo[de]anthracen-7-one {} {LY} 3,9-Dibromo-7H-benzo[de]anthracen-7-one {} {} {LY} 3,9-Dibromo-7H-benzo[de]anthracen-7-one {} {} {} {LY} 3,9-Dibromo-7H-benzo[de]anthracen-7-one {} {} {} {} {LY} 3,9-Dibromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {LY} 3,9-Dibromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {LY} 3,9-Dibromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {} {LY} 3,9-Dibromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {} {} {LY} 3,9-Dibromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,9-Dibromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,9-Dibromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,9-Dibromo-7H-benzo[de]anthracen-7-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,9-Dibromo-7H-benzo[de]anthracen-7-one
CAS Number81-98-1
MDL NumberMFCD00021092
Chemical Name Translation3,9-二溴-7H-苯并[de]蒽-7-酮
InChIKeyXBZKJGBIPSQKAU-UHFFFAOYSA-N
Wiswesser Line NotationL C6666 1A Q IVJ FE OE
Beilstein Registry Number2055712
PubChem Substance ID66498
InChIInChI=1S/C17H8Br2O/c18-9-4-5-10-11-6-7-15(19)12-2-1-3-13(16(11)12)17(20)14(10)8-9/h1-8H
Canonical SMILESC1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)Br)Br
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安全信息

RTECSCX5081000 
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

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

Storage condition

其他信息

  • Sigma Aldrich:81-98-1(sigmaaldrich)
  • 用途一:用作生产还原灰M、还原橄榄绿T等染料的中间体
  • 上游原料:苯并蒽酮
  • 方法一:由苯绕蒽酮经溴化而得。原料消耗定额：苯绕蒽酮764kg/t、溴素782kg/t。
  • MOL 文件:81-98-1.mol
  • 用途二:染料还原灰、橄榄绿T的中间体。

系列性分类

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