2- (2,6-Dibromophenyl) acetonitrile

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CAS Number

67197-53-9

UN Code

UN 2810

Hazard Statement

Stability

Stable in light, slowly oxidized in air. Hydrochloride stable at room temperature (in presence of oxygen, oxidn is accelerated by incr temperature) .

Molecular Formula

C8H5Br2N

Molecular Weight

274.94

Product Name Synonym

2- (2,6-dibromophenyl) acetonitrile

Physical Properties

White Solid

Hazardous Class

6.1 (a)

Safety Statements

S26; S36/37/39

Density

1.857g/cm3

Flash Point

155.3oC

RIDADR

UN 2810

Melting Point

231 - 233 °C (ethanol)

Chemical Information

2-(2,6-Dibromophenyl)acetonitrile

CAS Number	67197-53-9
PubChem CID	21850042
IUPAC Name	2-(2,6-dibromophenyl)acetonitrile
Molecular Formula	C8H5Br2N
Molecular Weight	274.94
XLogP	3
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	162

SMILES

C1=CC(=C(C(=C1)Br)CC#N)Br

InChI

InChI=1S/C8H5Br2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2

InChIKey

OEJZMMCGURACCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67197-53-9

CID: 21850042

Formula: C8H5Br2N

MW: 274.94

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	274.94
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	274.87682
Monoisotopic Mass	272.87887
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	162
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
OR75312-01	2- (2,6-Dibromophenyl) acetonitrile
ZCA53321-01	2- (2,5-Dibromophenyl) acetonitrile
RCA24616-01	2- (2,4-Dibromophenyl) acetonitrile
OR90306-01	2- (3,5-Dibromophenyl) acetonitrile
262521-01	2- (6-Benzyloxyindolyl) acetonitrile
sc-275485	(2,6-Dichlorophenoxy) acetonitrile
270760-01	(2,6-Difluorophenyl) acetonitrile
MBS6052454-01	2-(6-Benzyloxyindolyl)acetonitrile
WAA24481-01	2- (2,6-Dimethoxyphenoxy) acetonitrile
OR29660-01	2- (2,6-dichlorophenoxy) acetonitrile

2- (2,6-Dibromophenyl) acetonitrile

Chemical Information

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