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

Modify Date: 2025-11-24 21:51:16

2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile structure	Common Name	2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile
	CAS Number	99972-15-3	Molecular Weight	279.08900
	Density	1.621g/cm3	Boiling Point	390.7ºC at 760 mmHg
	Molecular Formula	C₁₁H₇BrN₂O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	190.1ºC

Name	2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile
Synonym	More Synonyms

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
InChIKey	RMTVRMJDCJSEMW-UHFFFAOYSA-N
SMILES	COc1cc(C=C(C#N)C#N)cc(Br)c1O

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

5-Bromovanillin

CAS#:2973-76-4

Malononitrile

CAS#:109-77-3

~76%

2-[(3-bromo-4-h...

CAS#: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%

MALONONITRILE,5-BROMOVANILLYLIDENE

3-bromo-4-hydroxy-5-methoxybenzylidene-malononitrile

5-Bromo vanillylidenemalononitrile

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

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Customs

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.