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

Modify Date: 2024-09-28 14:24:18

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

 Names

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

 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

5-Bromovanillin structure

5-Bromovanillin

CAS#:2973-76-4

Malononitrile structure

Malononitrile

CAS#:109-77-3

~76%

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

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

 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%

 Synonyms

MALONONITRILE,5-BROMOVANILLYLIDENE
3-bromo-4-hydroxy-5-methoxybenzylidene-malononitrile
5-Bromo vanillylidenemalononitrile
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Chemsrc provides CAS#:99972-15-3 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile>> amp version: 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]propanedinitrile

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