ChemicalBook > CAS DataBase List > 2-BROMO-4-METHYLBENZONITRILE

2-BROMO-4-METHYLBENZONITRILE

Product Name
2-BROMO-4-METHYLBENZONITRILE
CAS No.
42872-73-1
Chemical Name
2-BROMO-4-METHYLBENZONITRILE
Synonyms
2-BROMO-4-METHYLBENZONITRILE;Benzonitrile,2-bromo-4-methyl-;2-BroMo-4-Methylbenzonitrile 97%;2-BroMo-4-Methylbenzonitrile, 97+%
CBNumber
CB9182671
Molecular Formula
C8H6BrN
Formula Weight
196.04
MOL File
42872-73-1.mol
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2-BROMO-4-METHYLBENZONITRILE Property

Melting point:
51-53°C
Boiling point:
110°C/5mm
Density 
1.51±0.1 g/cm3(Predicted)
Flash point:
110 °C
storage temp. 
Inert atmosphere,Room Temperature
form 
powder
Appearance
White to off-white Solid
InChI
InChI=1S/C8H6BrN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3
InChIKey
JWCMJJIZYDCGTE-UHFFFAOYSA-N
SMILES
C(#N)C1=CC=C(C)C=C1Br
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Safety

Hazard Codes 
Xi,Xn
Risk Statements 
20/21/22-36/37/38-22
Safety Statements 
26-36/37/39
RIDADR 
3439
WGK Germany 
3
HazardClass 
IRRITANT, IRRITANT-HARMFUL
HS Code 
2926907090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

Precautionary statements

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

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

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
697206
Product name
2-Bromo-4-methylbenzonitrile
Purity
97%
Packaging
5g
Price
$54.2
Updated
2023/06/20
Sigma-Aldrich
Product number
697206
Product name
2-Bromo-4-methylbenzonitrile
Purity
97%
Packaging
25g
Price
$110
Updated
2023/06/20
TRC
Product number
B697043
Product name
2-Bromo-4-methylbenzonitrile
Packaging
500mg
Price
$65
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB55261
Product name
3-Bromo-4-cyanotoluene
Packaging
10g
Price
$74.7
Updated
2021/12/16
SynQuest Laboratories
Product number
3737-9-02
Product name
2-Bromo-4-methylbenzonitrile
Packaging
5G
Price
$81
Updated
2021/12/16
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2-BROMO-4-METHYLBENZONITRILE Chemical Properties,Usage,Production

Chemical Properties

off-white crystalline

Uses

3-Bromo-4-cyanotoluene reacts with magnesium to form Grignard reagent, which can be used as a catalyst for the polymerization of acetylene.

Synthesis

131002-03-4

42872-73-1

Example 10 Synthesis of 2-bromo-4-methylbenzonitrile: To a chloroform suspension of 2-bromo-4-methylbenzamide (14.8 g, 69.1 mmol) was added phosphorus pentoxide (24.5 g, 172.8 mmol), and the reaction mixture was refluxed for 12 hours. After completion of the reaction, it was cooled to room temperature and slowly poured into ice water with stirring. The organic layer was separated and the aqueous layer was extracted twice with chloroform (150 mL x 2). The organic phases were combined, washed with saturated brine and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure to give 2-bromo-4-methylbenzonitrile (13.3 g, 98% yield). The product was characterized by 1H NMR (400 MHz, CDCl3): δ 2.41 (s, 3H), 7.20 (d, J=8.0 Hz, 1H), 7.51-7.54 (m, 2H).

References

[1] Patent: US2009/203657, 2009, A1. Location in patent: Page/Page column 45
[2] Patent: US2009/203677, 2009, A1. Location in patent: Page/Page column 48
[3] Patent: US2009/197871, 2009, A1. Location in patent: Page/Page column 47-48
[4] Patent: WO2009/100169, 2009, A1. Location in patent: Page/Page column 122
[5] Patent: WO2007/68905, 2007, A1. Location in patent: Page/Page column 128

2-BROMO-4-METHYLBENZONITRILE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 2-BROMO-4-METHYLBENZONITRILE manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
Product
2-Bromo-4-methylbenzonitrile 42872-73-1
Price
US $1.10-9.90/KG
Min. Order
1KG
Purity
99%min
Supply Ability
100KG
Release date
2025-08-20
Shaanxi Dideu New Materials Co. Ltd
Product
2-BROMO-4-METHYLBENZONITRILE 42872-73-1
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
98.0%
Supply Ability
10000KGS
Release date
2025-06-06
Shaanxi Dideu Medichem Co. Ltd
Product
2-Bromo-4-Methylbenzonitrile 42872-73-1
Price
US $1.00-22.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
100000KG
Release date
2024-08-16