2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile

Names

[ CAS No. ]:
99972-15-3

[ Name ]:
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile

[Synonym ]:
MALONONITRILE,5-BROMOVANILLYLIDENE
3-bromo-4-hydroxy-5-methoxybenzylidene-malononitrile
5-Bromo vanillylidenemalononitrile

Chemical & Physical Properties

[ Density]:
1.621g/cm3

[ Boiling Point ]:
390.7ºC at 760 mmHg

[ Molecular Formula ]:
C11H7BrN2O2

[ Molecular Weight ]:
279.08900

[ Flash Point ]:
190.1ºC

[ Exact Mass ]:
277.96900

[ PSA ]:
77.04000

[ LogP ]:
2.59386

[ Index of Refraction ]:
1.648

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO3650000
CHEMICAL NAME :
Malononitrile, 5-bromovanillylidene-
CAS REGISTRY NUMBER :
99972-15-3
BEILSTEIN REFERENCE NO. :
3324020
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H7-Br-N2-O2
MOLECULAR WEIGHT :
279.11
WISWESSER LINE NOTATION :
NCYCN&U1R DQ CE EO1

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#07642

Safety Information

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • N'-[[3-(4-chlorophenyl)sulfonyloxazolidin-2-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
  • N'-[[3-(4-chlorobenzoyl)oxazolidin-2-yl]methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
  • 5-Chloro-2-(4,5-dihydro-1H-imidazol-2-yl)isoindoline
  • 1-(2-Ethoxyethyl)piperidin-4-ol
  • N'-(1,3-benzodioxol-5-ylmethyl)-N-[[3-(4-chlorobenzoyl)oxazolidin-2-yl]methyl]oxamide
  • N-[[3-(4-chlorobenzoyl)oxazolidin-2-yl]methyl]-N'-(2-pyridylmethyl)oxamide
  • N'-[(4-fluorophenyl)methyl]-N-[[3-(4-methoxybenzoyl)oxazolidin-2-yl]methyl]oxamide
  • N-[[3-(1,3-benzodioxole-5-carbonyl)oxazolidin-2-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
  • N-[[3-(1,3-benzodioxole-5-carbonyl)oxazolidin-2-yl]methyl]-N'-(2-pyridylmethyl)oxamide
  • N-[[3-(1,3-benzodioxole-5-carbonyl)oxazolidin-2-yl]methyl]-N'-(3-pyridylmethyl)oxamide
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