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

Suppliers

Names

[ 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-(pyridin-2-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
1-acetyl-N-ethyl-N-(m-tolyl)azetidine-3-carboxamide
N-(4-(benzyloxy)benzyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
methyl 2-(1-acetyl-N-methylazetidine-3-carboxamido)benzoate
N-[(3-Methyl-1,2,4-oxadiazol-5-YL)methyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
N-methoxy-N-methyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
N-((1H-benzo[d]imidazol-2-yl)methyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
N-(1H-indazol-6-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-1-(5-methylisoxazole-3-carbonyl)azetidine-3-carboxamide
Ethyl 4-(5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamido)piperidine-1-carboxylate

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