6-bromo-2h-chromene-3-carbonitrile

Modify Date: 2024-01-04 14:23:05

6-bromo-2h-chromene-3-carbonitrile Structure
6-bromo-2h-chromene-3-carbonitrile structure
 Common Name 6-bromo-2h-chromene-3-carbonitrile
CAS Number 57543-68-7 Molecular Weight 236.06500
Density 1.65g/cm3 Boiling Point 360.6ºC at 760mmHg
Molecular Formula C10H6BrNO Melting Point N/A
MSDS N/A Flash Point 171.9ºC

 Names

Name 6-bromo-2h-chromene-3-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.65g/cm3
Boiling Point 360.6ºC at 760mmHg
Molecular Formula C10H6BrNO
Molecular Weight 236.06500
Flash Point 171.9ºC
Exact Mass 234.96300
PSA 33.02000
LogP 2.74848
Index of Refraction 1.652

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ2175000
CHEMICAL NAME :
2H-1-Benzopyran-3-carbonitrile, 6-bromo-
CAS REGISTRY NUMBER :
57543-68-7
BEILSTEIN REFERENCE NO. :
1370600
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H6-Br-N-O
MOLECULAR WEIGHT :
236.08
WISWESSER LINE NOTATION :
T66 BO CHJ DCN HE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 11,81,1976

 Safety Information

Hazard Codes T+
HS Code 2926909090

 Synthetic Route

Acrylonitrile structure

Acrylonitrile

CAS#:107-13-1
5-Bromosalicylaldehyde structure

5-Bromosalicyla...

CAS#:1761-61-1

~68%

6-bromo-2h-chromene-3-carbonitrile Structure

6-bromo-2h-chro...

CAS#:57543-68-7
Literature: F. HOFFMANN-LA ROCHE AG; GUO, Lei; TANG, Guozhi; WANG, Zhanguo; WONG, Jason Christopher; ZHANG, Weixing Patent: WO2012/31993 A1, 2012 ; Location in patent: Page/Page column 96 ; WO 2012/031993 A1

 Precursor & DownStream

Precursor  2

DownStream  0

 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

6-bromo-3-cyano-2H-chromene
6-Bromo-2H-1-benzopyran-3-carbonitrile
2H-1-BENZOPYRAN-3-CARBONITRILE,6-BROMO
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