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

4-CHLORO-2-METHYLBENZONITRILE

Product Name
4-CHLORO-2-METHYLBENZONITRILE
CAS No.
50712-68-0
Chemical Name
4-CHLORO-2-METHYLBENZONITRILE
Synonyms
4-CHLORO-2-METHYLBEN;2-Cyano-5-chlorotoluene;Chloro-2-methylbenzonitrile;2-METHYL-4-CHLOROBENZONITRILE;4-CHLORO-2-METHYLBENZONITRILE;Benzonitrile, 4-chloro-2-methyl-;4-Chloro-2-methylbenzonitrile 97%;4-chloro-2-methyl-benzenecarbonitrile
CBNumber
CB3347342
Molecular Formula
C8H6ClN
Formula Weight
151.59
MOL File
50712-68-0.mol
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4-CHLORO-2-METHYLBENZONITRILE Property

Melting point:
57-61 °C (lit.)
Boiling point:
85-86°C/3mm
Density 
1.19±0.1 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
form 
powder
color 
beige crystilline
InChI
InChI=1S/C8H6ClN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3
InChIKey
ZZAJFWXXFZTTLH-UHFFFAOYSA-N
SMILES
C(#N)C1=CC=C(Cl)C=C1C
CAS DataBase Reference
50712-68-0(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
WGK Germany 
3
Hazard Note 
Irritant
HazardClass 
IRRITANT-HARMFUL
HazardClass 
6.1
HS Code 
2926907090
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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
594547
Product name
4-Chloro-2-methylbenzonitrile
Purity
97%
Packaging
5g
Price
$37.8
Updated
2023/06/20
TRC
Product number
C587603
Product name
4-Chloro-2-methylbenzonitrile
Packaging
250mg
Price
$55
Updated
2021/12/16
TRC
Product number
C587603
Product name
4-Chloro-2-methylbenzonitrile
Packaging
1g
Price
$75
Updated
2021/12/16
Oakwood
Product number
120301
Product name
4-Chloro-2-methylbenzonitrile
Purity
98%
Packaging
1g
Price
$20
Updated
2021/12/16
SynQuest Laboratories
Product number
3737-5-X8
Product name
4-Chloro-2-methylbenzonitrile
Packaging
5G
Price
$20
Updated
2021/12/16
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4-CHLORO-2-METHYLBENZONITRILE Chemical Properties,Usage,Production

Chemical Properties

off-white crystalline

Synthesis

617-90-3

25961-46-0

1117842-29-1

50712-68-0

The general procedure for the synthesis of compounds (CAS:1117842-29-1) and 4-chloro-2-methylbenzonitrile from 2-cyanofuran and compounds (CAS:25961-46-0) was as follows: crude oxathiazolone compound (2.0 g, 8.8 mmol) was mixed with 2-furanonitrile (16 g, 170 mmol) in a microwave reactor under 190°C for 20 min. This reaction was repeated for 10 batches, and the reaction solution was combined and subjected to Kugelrohr distillation at 100 °C, 30 mbar to recover excess 2-furanonitrile (for use in the next microwave reaction). Subsequently, the residue was further distilled at 150 °C, 20 mbar to remove the nitrile by-products. 5.5 g of the residue was combined with 4.5 g of the residue obtained from another 10 microwave reactions and purified by column chromatography. The 4.5 g of product obtained (HPLC purity 85%) was dissolved in methanol (50 mL) and recrystallized to give pure 3-(4-chloro-2-methylphenyl)-5-(furan-2-yl)-1,2,4-thiadiazole as a light brown solid in 3.6 g yield (7.5% yield). Chemical formula: C13H9ClN2OS; Molecular weight: 278.7; HPLC-ESMS: retention time tR = 6.36 min, m/z 277.0 (M + 1); HPLC purity: > 95% (220 nm), 95% (270 nm). 1H-NMR (300 MHz, CDCl3): δ 8.06 (dd, J = 7.8 Hz, 1H), 7.62-7.63 (m, 1H), 7.22-7.31 (m, 3H), 6.61-6.63 (m, 1H), 2.66 (s, 3H).

References

[1] Patent: US2009/48311, 2009, A1. Location in patent: Page/Page column 42

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

Raw materials

Preparation Products

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4-CHLORO-2-METHYLBENZONITRILE Suppliers

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

Hebei Chuanghai Biotechnology Co., Ltd
Product
4-CHLORO-2-METHYLBENZONITRILE 50712-68-0
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
20 mt
Release date
2024-11-14
Career Henan Chemical Co
Product
4-CHLORO-2-METHYLBENZONITRILE 50712-68-0
Price
US $1.00/g
Min. Order
1g
Purity
99%
Supply Ability
10000KGS
Release date
2020-01-09

50712-68-0, 4-CHLORO-2-METHYLBENZONITRILERelated Search:

4-CHLORO-2-METHYLBENZONITRILE 4-CHLORO-3-METHYLBENZONITRILE 4-Chloro-2-(trifluoromethyl)benzonitrile 2-CHLORO-5-METHYLBENZONITRILE,2-CHLORO-5-METHYLBENZONITRILE 5% 4-CHLORO-3-METHYLBENZONITRILE 3,4,5,6-Tetrachlorophthalonitrile 4,5-DICHLOROPHTHALONITRILE 3,4,5,6-Tetrachloro-2-cyanobenzoic acid ammonium salt 3-CHLORO-2-METHYLBENZONITRILE 4-Hydroxy-3-chloro-5-methylbenzonitrile 4-(trifluoromethyl)-2-Chloro benzonitrile 2,4-DICHLORO-6-METHYLBENZONITRILE 3-Chloro-4-methylbenzonitrile 98%,3-CHLORO-4-METHYLBENZONITRILE 4-CHLORO-3-(TRIFLUOROMETHYL)BENZONITRILE 2-CHLORO-3-METHYLBENZONITRILE 2-CHLORO-6-METHYLBENZONITRILE 4-AMINO-3-CHLORO-5-METHYLBENZONITRILE,4-AMINO-3-CHLORO-5-METHYLBENZONITRILE: TECH., 90% 4-CHLORO-2-FORMYLBENZONITRILE

  • 4-CHLORO-2-METHYLBENZONITRILE
  • 2-METHYL-4-CHLOROBENZONITRILE
  • 4-chloro-2-methyl-benzenecarbonitrile
  • 2-Cyano-5-chlorotoluene
  • 4-CHLORO-2-METHYLBEN
  • 4-Chloro-2-methylbenzonitrile 97%
  • Chloro-2-methylbenzonitrile
  • Benzonitrile, 4-chloro-2-methyl-
  • 50712-68-0
  • 56712-68-0
  • Building Blocks
  • C8 to C9
  • Organic Building Blocks
  • Nitrogen Compounds
  • Cyanides/Nitriles
  • C8 to C9
  • Cyanides/Nitriles
  • Nitrogen Compounds