ChemicalBook > CAS DataBase List > 3-Methylbenzyl cyanide

3-Methylbenzyl cyanide

Product Name
3-Methylbenzyl cyanide
CAS No.
2947-60-6
Chemical Name
3-Methylbenzyl cyanide
Synonyms
M-XYLYL CYANIDE;M-Tolyacetonitrile;M-TOLYLACETONITRILE;3-Tolylacetonitrile;3-Methylbenzyl cyani;3-METHYLBENZYL CYANIDE;m-Xylyl Cyanide;M-METHYLBENZYL CYANIDE;3-TOLYLACETONITRILE 97%;m-Tolylacetonitrile, 98+%
CBNumber
CB8123815
Molecular Formula
C9H9N
Formula Weight
131.17
MOL File
2947-60-6.mol
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3-Methylbenzyl cyanide Property

Boiling point:
240-241 °C(lit.)
Density 
1.002 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.52(lit.)
Flash point:
>230 °F
storage temp. 
Sealed in dry,Room Temperature
form 
clear liquid
color 
Colorless to Light orange to Yellow
Specific Gravity
1.002
Water Solubility 
INSOLUBLE
BRN 
1099644
Exposure limits
NIOSH: IDLH 25 mg/m3
InChI
InChI=1S/C9H9N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5H2,1H3
InChIKey
WOJADIOTNFDWNQ-UHFFFAOYSA-N
SMILES
C1(CC#N)=CC=CC(C)=C1
CAS DataBase Reference
2947-60-6(CAS DataBase Reference)
NIST Chemistry Reference
3-Tolylacetic acid nitrile(2947-60-6)
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Safety

Hazard Codes 
Xn
Risk Statements 
20/21/22-36/37/38
Safety Statements 
26-37/39-36/37
RIDADR 
UN 3276 6.1/PG 3
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

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

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

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

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

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
M31600
Product name
3-Methylbenzyl cyanide
Purity
98%
Packaging
25g
Price
$95.9
Updated
2023/06/20
TCI Chemical
Product number
X0046
Product name
m-Xylyl Cyanide
Purity
>98.0%(GC)
Packaging
25mL
Price
$54
Updated
2025/07/31
Frontier Specialty Chemicals
Product number
JK130402
Product name
m-Tolylacetonitrile
Purity
98%
Packaging
25g
Price
$74
Updated
2021/12/16
Frontier Specialty Chemicals
Product number
JK130402
Product name
m-Tolylacetonitrile
Purity
98%
Packaging
5g
Price
$19
Updated
2021/12/16
Medical Isotopes, Inc.
Product number
59965
Product name
(3-Methylphenyl)acetonitrile
Packaging
1g
Price
$610
Updated
2021/12/16
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3-Methylbenzyl cyanide Chemical Properties,Usage,Production

Chemical Properties

clear colorless to light yellow liquid

Uses

(3-Methylphenyl)acetonitrile was used as a reactant to synthesize potential non-nucleoside reverse transcriptase inhibitors (NNRTIs) against HIV. It was also used as a reactant to prepare hepatitis C virus inhibitors.

Synthesis

773837-37-9

620-19-9

2947-60-6

GENERAL METHOD: To a mixture of benzyl halide (1.0 mmol) and MY (Y: N3, SCN, OAc, CN) (2 mmol) in water (5 mL) was added -CDPU-MNPs (0.1 g). The suspension was magnetically stirred under reflux conditions for the time indicated in Table 1. The progress of the reaction was monitored by TLC (using n-hexane-ethyl acetate as eluent), and after confirming that the feedstock was completely consumed, the catalyst was adsorbed to the side wall of the reaction vessel using an external magnet. The aqueous phase was separated by decantation and extracted with ether (2 x 10 mL). The organic phases were combined and dried with anhydrous calcium chloride (CaCl2) and subsequently concentrated under vacuum to give the target product m-methylphenylacetonitrile. The residual catalyst in the reaction vessel was washed and dried and can be used directly in the next reaction.

References

[1] Journal of Molecular Catalysis A: Chemical, 2012, vol. 365, p. 80 - 86
[2] Applied Organometallic Chemistry, 2018, vol. 32, # 4,
[3] Applied Organometallic Chemistry, 2018, vol. 32, # 2,
[4] Catalysis Communications, 2012, vol. 18, p. 102 - 105

3-Methylbenzyl cyanide Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3-Methylbenzyl cyanide manufacturers

Shaanxi Dideu New Materials Co. Ltd
Product
3-Methylbenzyl cyanide 2947-60-6
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99.0%
Supply Ability
10000KGS
Release date
2025-11-14
Career Henan Chemical Co
Product
3-Methylbenzyl cyanide 2947-60-6
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
100kg
Release date
2019-12-30

2947-60-6, 3-Methylbenzyl cyanideRelated Search:

Diphenylacetonitrile 4-Methoxybenzyl cyanide Sodium carboxymethyl cellulose Carboxymethyl cellulose 3-(Trifluoromethyl)benzaldehyde 1,3-Dimethylbarbituric acid Acetonitrile N,N-Dimethylformamide (3-Methoxyphenyl)acetonitrile m-Toluic acid 2-Aminobenzotrifluoride ALPHA-METHYLBENZYL CYANIDE,A-METHYLBENZYL CYANIDE,à-methylbenzyl cyanide 3-Methylphenethylamine TRIMETHYL PHLOROGLUCINOL Benzeneacetonitrile O-METHYLBENZYL CYANIDE,2-METHYLBENZYL CYANIDE POTASSIUM CYANIDE 4-Methylbenzyl cyanide

  • 3-Methylbenzyl cyanide 98%
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  • 3-METHYLBENZYL CYANIDE
  • 3-METHYLPHENYLACETONITRILE
  • M-Tolyacetonitrile
  • 3-TOLYLACETONITRILE 97%
  • M-METHYLBENZYL CYANIDE
  • M-METHYLPHENYLACETONITRILE
  • M-TOLYLACETONITRILE
  • M-XYLYL CYANIDE
  • 3-Methylbenzyl cyanide~3-Methylphenylacetonitrile
  • m-Tolylacetonitrile, 98+%
  • 3-Methylbenzeneacetonitrile
  • 3-Methylbenzyl cyanide,98%
  • 3-Methylbenzyl cyani
  • 3-Methylbenzyl Cyanide m-Tolylacetonitrile
  • Meta Methyl Benzyl Cyanide
  • 2947-60-6
  • ARYL ISOCYANATE
  • Cyanides/Nitriles
  • Organic Building Blocks
  • Nitrogen Compounds
  • Building Blocks
  • C8 to C9
  • Aromatic Nitriles
  • Building Blocks
  • C8 to C9
  • Chemical Synthesis
  • Cyanides/Nitriles
  • Nitrogen Compounds
  • Organic Building Blocks