3-Bromo-4-hydroxy-5-tert-butyl-benzonitrile

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Names

[ CAS No. ]:
4910-06-9

[ Name ]:
3-Bromo-4-hydroxy-5-tert-butyl-benzonitrile

[Synonym ]:
3-Brom-5-tert-butyl-4-hydroxy-benzonitril
WLN: NCR DQ CE EX1&BENZONITRILE,3-BROMO-5-tert-BUTYL-4-HYDROXY
1&2-Brom-4-cyan-6-tert.-butyl-phenol
3-bromo-5-tert-butyl-4-hydroxy-benzonitrile

Chemical & Physical Properties

[ Density]:
1.44g/cm3

[ Boiling Point ]:
285.9ºC at 760mmHg

[ Molecular Formula ]:
C11H12BrNO

[ Molecular Weight ]:
254.12300

[ Exact Mass ]:
253.01000

[ PSA ]:
44.02000

[ LogP ]:
3.32388

[ Index of Refraction ]:
1.585

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI2500000
CHEMICAL NAME :
Benzonitrile, 3-bromo-5-tert-butyl-4-hydroxy-
CAS REGISTRY NUMBER :
4910-06-9
BEILSTEIN REFERENCE NO. :
3090988
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H12-Br-N-O
MOLECULAR WEIGHT :
254.15
WISWESSER LINE NOTATION :
NCR DQ CE EX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05158

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3,5-di-tert-Butyl-4-hydroxybenzonitrile
  • Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, oxime

DownStream

Related Compounds

  • 3-bromo-4-hydroxy-5-iodobenzonitrile
  • (3-bromo-4-hydroxy-5-methoxyphenyl)acetic acid ethyl ester
  • 3-bromo-4-hydroxy-5-benzyloxybenzaldehyde
  • 3-bromo-4-hydroxy-5-methoxyacetophenone
  • 3-bromo-4-hydroxy-5-methoxy-α-methylamino-benzyl alcohol
  • 3-BROMO-4-HYDROXY-5-METHOXYBENZYLAMINE
  • N-(2,4-dimethylphenyl)-2-((6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
  • N-(4-acetamidophenyl)-2-((6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
  • N-(4-acetylphenyl)-2-((6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
  • N-(5-methylisoxazol-3-yl)-2-((6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
  • 2-((6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)-N-(thiazol-2-yl)acetamide
  • N-(4-methylthiazol-2-yl)-2-((6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
  • N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-((6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
  • 2-(2,3-dibromo-6-ethoxy-4-formylphenoxy)-N-(2-methylphenyl)acetamide
  • N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-((6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
  • N-(3-acetylphenyl)-2-((6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)acetamide
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