ChemicalBook > CAS DataBase List > 2-Bromo-5-methoxybenzonitrile

2-Bromo-5-methoxybenzonitrile

Product Name
2-Bromo-5-methoxybenzonitrile
CAS No.
138642-47-4
Chemical Name
2-Bromo-5-methoxybenzonitrile
Synonyms
KML-45;4-Bromo-3-cyanoanisole;2-BROMO-5-METHOXYBENZONITRILE;Benzonitrile, 2-bromo-5-methoxy-;2-BroMo-5-Methoxybenzonitrile 97%;4-Bromo-3-cyanoanisole, 6-Bromo-m-anisonitrile
CBNumber
CB11484530
Molecular Formula
C8H6BrNO
Formula Weight
212.04
MOL File
138642-47-4.mol
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2-Bromo-5-methoxybenzonitrile Property

Melting point:
99-102 °C
Boiling point:
292.8±30.0 °C(Predicted)
Density 
1.56±0.1 g/cm3(Predicted)
storage temp. 
2-8°C
form 
solid
color 
peachy
InChI
InChI=1S/C8H6BrNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3
InChIKey
ZQONVYONOASKIY-UHFFFAOYSA-N
SMILES
C(#N)C1=CC(OC)=CC=C1Br
CAS DataBase Reference
138642-47-4
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Safety

Hazard Codes 
Xn
Risk Statements 
22
Safety Statements 
36/37
RIDADR 
UN3439
WGK Germany 
3
HazardClass 
6.1
PackingGroup 
III
HS Code 
29269090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H331Toxic if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
701149
Product name
2-Bromo-5-methoxybenzonitrile
Purity
97%
Packaging
1g
Price
$37.8
Updated
2021/12/16
Sigma-Aldrich
Product number
701149
Product name
2-Bromo-5-methoxybenzonitrile
Purity
97%
Packaging
5g
Price
$130
Updated
2021/12/16
TRC
Product number
B696600
Product name
2-Bromo-5-methoxybenzonitrile
Packaging
1g
Price
$75
Updated
2021/12/16
Frontier Specialty Chemicals
Product number
JK807844
Product name
2-Bromo-5-methoxybenzonitrile
Purity
98%
Packaging
1g
Price
$81
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB55427
Product name
4-Bromo-3-cyanoanisole
Packaging
2g
Price
$100
Updated
2021/12/16
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2-Bromo-5-methoxybenzonitrile Chemical Properties,Usage,Production

Uses

2-Bromo-5-methoxybenzonitrile (10.0 g, 47.2 mmol) was dissolved in dry tetrahydrofuran (100 mL) in a flame-dried flask and cooled in an ice bath. A solution of borane in tetrahydrofuran (75 mL, 75 mmol, 1.0 M) was added dropwise over 30 minutes. The reaction mixture was stirred overnight at rt, then quenched slowly with ice water and Na2CO3 (saturated aqueous solution). After removing THF, the residue was extracted with large amounts of EtOAc three times. The combined organic layers were washed with water, dried, and concentrated to give the crude, which was purified by silica gel column chromatography to give 1-(2-Bromo-5-methoxyphenyl)methanamine as a white powder (3.65 g, 36%).

2-Bromo-5-methoxybenzonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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