ChemicalBook--->CAS DataBase List--->42872-83-3

42872-83-3

42872-83-3 Structure

42872-83-3 Structure
IdentificationBack Directory
[Name]

2-Bromo-5-methylbenzonitrile
[CAS]

42872-83-3
[Synonyms]

6-BROMO-M-TOLUNITRILE
4-Bromo-3-cyanotoluene
2-BROMO-5-METHYLBENZONITRILE
5-methyl-2-Bromobenzonitrile
m-Tolunitrile, 6-bromo- (4CI)
Benzonitrile, 2-bromo-5-methyl-
2-Bromo-5-methylbenzonitrile 97%
2-Bromo-5-methylbenzonitrile >
Benzonitrile, 2-bromo-5-methyl- (9CI)
4-Bromo-3-cyanotoluene, 6-Bromo-m-tolunitrile
2-Bromo-5-methylbenzonitrile ISO 9001:2015 REACH
[Molecular Formula]

C8H6BrN
[MDL Number]

MFCD11040281
[MOL File]

42872-83-3.mol
[Molecular Weight]

196.04
Chemical PropertiesBack Directory
[Melting point ]

61-65 °C
[Boiling point ]

290 °C
[density ]

1.51
[Fp ]

129 °C
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Crystalline Powder
[color ]

Off-white to pale yellow
[InChI]

InChI=1S/C8H6BrN/c1-6-2-3-8(9)7(4-6)5-10/h2-4H,1H3
[InChIKey]

AKCXJAVATJLYQM-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC(C)=CC=C1Br
[CAS DataBase Reference]

42872-83-3
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Exclamation Mark (GHS07)
GHS06,GHS07
[Signal word ]

Warning
[Hazard statements ]

H301+H311+H331-H315-H319-H302-H312-H332-H335
[Precautionary statements ]

P304+P340-P305+P351+P338-P501a-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
[Hazard Codes ]

Xn
[Risk Statements ]

22
[RIDADR ]

3439
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2926907090
Hazard InformationBack Directory
[Chemical Properties]

off-white crystalline
[Reactions]

2-Bromo-5-methylbenzonitrile is a quinazolinone that can be synthesized by reacting 2-bromotoluene with nitric acid. It is a substrate for the synthesis of other quinazolinones.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromo-5-methylbenzonitrile(42872-83-3)1HNMR
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