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

  • (2E)-3-[3-(dimethylsulfamoyl)phenyl]but-2-enoic acid
  • (3-Amino-4-methoxyphenyl)(4-isopropylphenyl)methanone
  • 1-benzyl-4-(2-ethoxyphenyl)pyrazine-2,3(1H,4H)-dione
  • (1S)-7-bromo-1,2,3,4-tetrahydronaphthalen-1-ol
  • 3-(2-Bromoethyl)-6-methoxy-1,2-benzoxazole
  • 1,2,4-Oxadiazole-5-propanamide, 3-(2-furanyl)-N-[4-(2-phenyldiazenyl)phenyl]-
  • 3-(2-Fluorophenyl)-4-methyl-1H-pyrazol-5-amine
  • N-(6-bromobenzo[d]thiazol-2-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide
  • N-(4,6-difluorobenzo[d]thiazol-2-yl)-N-(furan-2-ylmethyl)acetamide
  • N-(4,6-difluorobenzo[d]thiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
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