99972-15-3

99972-15-3 structure

99972-15-3 structure

Name: 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile
Chemical Name: 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile
CAS Number: 99972-15-3
Molecular Formula: C₁₁H₇BrN₂O₂
Molecular Weight: 279.08900
Create Date: 2017-08-18 08:21:26
Modify Date: 2022-05-18 20:14:49

Name	2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile
Synonyms	MALONONITRILE,5-BROMOVANILLYLIDENE 3-bromo-4-hydroxy-5-methoxybenzylidene-malononitrile 5-Bromo vanillylidenemalononitrile

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

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

HS Code	2926909090

2973-76-4 structure

2973-76-4

109-77-3 structure

109-77-3

~76%

99972-15-3 structure

99972-15-3

Literature: Cytovia, Inc. Patent: US2006/104998 A1, 2006 ; Location in patent: Page/Page column 20 ; US 20060104998 A1

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%