3-Bromo-4-methylbenzonitrile

Product Name: 3-Bromo-4-methylbenzonitrile
CAS No.: 42872-74-2
Chemical Name: 3-Bromo-4-methylbenzonitrile
Synonyms: Bromo-4-methyl-benzonitrile;4-methyl-3-bromobenzonitrile;3-Bromo-4-methylbenzonitrile;Benzonitrile, 3-bromo-4-methyl-;3-Bromo-4-methylbenzonitrile 98%;3-BROMO-4-METHYLBENZONITRILE 97;2-Bromo-4-cyanotoluene, 3-Bromo-p-tolunitrile
CBNumber: CB4498830
Molecular Formula: C8H6BrN
Formula Weight: 196.04
MOL File: 42872-74-2.mol

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3-Bromo-4-methylbenzonitrile Property

Melting point:: 41-45 °C (lit.)
Boiling point:: 259.1±20.0 °C(Predicted)
Density: 1.51±0.1 g/cm3(Predicted)
Flash point:: >230 °F
storage temp.: Sealed in dry,Room Temperature
form: fused solid
Appearance: White to off-white Solid
Water Solubility: Insoluble in water.
InChI: InChI=1S/C8H6BrN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChIKey: VXUMRYMTYKDWMO-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(C)C(Br)=C1
CAS DataBase Reference: 42872-74-2(CAS DataBase Reference)

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Safety

Hazard Codes: Xn,Xi
Risk Statements: 20/21/22
Safety Statements: 36
RIDADR: UN3439
WGK Germany: 3
Hazard Note: Harmful
HazardClass: 6.1
PackingGroup: III
HS Code: 2926907090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Precautionary statements

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

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 642398
Product name: 3-Bromo-4-methylbenzonitrile
Purity: 97%
Packaging: 25g
Price: $42.95
Updated: 2025/07/31

TRC

Product number: B697053
Product name: 3-Bromo-4-methylbenzonitrile
Packaging: 500mg
Price: $45
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB55608
Product name: 2-Bromo-4-cyanotoluene
Packaging: 50g
Price: $50
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB55608
Product name: 2-Bromo-4-cyanotoluene
Packaging: 100g
Price: $90
Updated: 2021/12/16

Matrix Scientific

Product number: 023714
Product name: 3-Bromo-4-methylbenzonitrile
Purity: 98%
Packaging: 100g
Price: $99
Updated: 2021/12/16

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3-Bromo-4-methylbenzonitrile Chemical Properties,Usage,Production

Chemical Properties

Off-white crystalline

Uses

Used as pharmaceutical intermediate.

Synthesis

104-85-8

42872-74-2

General procedure for the synthesis of 3-bromo-4-methylbenzonitrile from 4-methylbenzonitrile: 4-methylbenzonitrile (168 g, 1.46 mol) was dissolved in a mixed solution of H2SO4/H2O (800 mL, 1:1, v/v/v) at 10 °C and N-bromosuccinimide (NBS, 256 g, 1.43 mol) was added slowly. The reaction mixture was stirred under light-avoiding conditions for 48 hours. After completion of the reaction, the mixture was filtered and the filter cake was collected. The filter cake was dissolved in ethyl acetate (1000 mL) and the organic layer was washed sequentially with water and saturated saline. Subsequently, it was neutralized with NaOH solution to pH=7 and washed again with saturated saline. The organic layer was dried over anhydrous Na2SO4 and concentrated under reduced pressure to give 3-bromo-4-methylbenzonitrile (276.5 g, 89% yield) as a yellow solid.

References

[1] Journal of Organic Chemistry USSR (English Translation), 1988, vol. 24, # 2, p. 217 - 223
[2] Zhurnal Organicheskoi Khimii, 1988, vol. 24, # 2, p. 248 - 255
[3] Patent: WO2011/22337, 2011, A1. Location in patent: Page/Page column 103-104
[4] Synlett, 2007, # 14, p. 2179 - 2184
[5] Organic Letters, 2006, vol. 8, # 4, p. 645 - 647

3-Bromo-4-methylbenzonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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3-Bromo-4-methylbenzonitrile Suppliers

China 176 Europe 2 Germany 3 India 15 Switzerland 1 United Kingdom 8 United States 22 Global 227

Shanghai Harvest Chemical Industrial Co., Ltd.

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Chongqing AoShe Biological Chemical Co., Ltd.

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J & K SCIENTIFIC LTD.

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Beijing Ouhe Technology Co., Ltd

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View Lastest Price from 3-Bromo-4-methylbenzonitrile manufacturers

Shaanxi Dideu Medichem Co. Ltd

Product: 3-Bromo-4-methylbenzonitrile 42872-74-2
Price: US $1.00-22.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100000KG
Release date: 2024-08-16

Career Henan Chemical Co

Product: 3-Bromo-4-methylbenzonitrile 42872-74-2
Price: US $500.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 1ton
Release date: 2018-08-04

42872-74-2, 3-Bromo-4-methylbenzonitrileRelated Search:

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3-BROMO-4-METHYLBENZONITRILE 97

3-Bromo-4-methylbenzonitrile 98%

3-Bromo-4-methylbenzonitrile

4-methyl-3-bromobenzonitrile

Benzonitrile, 3-bromo-4-methyl-

Bromo-4-methyl-benzonitrile

2-Bromo-4-cyanotoluene, 3-Bromo-p-tolunitrile

42872-74-2

C8H6BrO

CH3C6H3BrCN

cyanide| alkyl bromide

Miscellaneous

Bromine Compounds

Nitriles

C8 to C9

Cyanides/Nitriles

Nitrogen Compounds

Fluorobenzene