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
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%