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
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)
Safety
- Hazard Codes
- Xi
- WGK Germany
- 3
- Hazard Note
- Irritant
- HazardClass
- IRRITANT-HARMFUL
- HazardClass
- 6.1
- HS Code
- 2926907090
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.
N-Bromosuccinimide Price
- Product number
- 594547
- Product name
- 4-Chloro-2-methylbenzonitrile
- Purity
- 97%
- Packaging
- 5g
- Price
- $37.8
- Updated
- 2023/06/20
- Product number
- C587603
- Product name
- 4-Chloro-2-methylbenzonitrile
- Packaging
- 250mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- C587603
- Product name
- 4-Chloro-2-methylbenzonitrile
- Packaging
- 1g
- Price
- $75
- Updated
- 2021/12/16
- Product number
- FC55106
- Product name
- 5-Chloro-2-cyanotoluene
- Packaging
- 10g
- Price
- $100.6
- Updated
- 2021/12/16
- Product number
- FC55106
- Product name
- 5-Chloro-2-cyanotoluene
- Packaging
- 100g
- Price
- $529
- Updated
- 2021/12/16
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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View Lastest Price from 4-CHLORO-2-METHYLBENZONITRILE manufacturers
- 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
- 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