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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
Molecular Weight:
131.17
MDL Number:
MFCD00001914
MOL File:
2947-60-6.mol
MSDS File:
SDS
Last updated:2026-05-28 02:54:40
Product description Number Pack Size Price
3-Methylbenzyl cyanide 98% M31600 25g $95.9
m-Xylyl Cyanide >98.0%(GC) X0046 25mL $58
3-Methylbenzyl cyanide Asreported 281539 10g $355
3-Methylbenzyl cyanide Asreported 281539 25g $496
3-Methylbenzyl cyanide Asreported 281539 50g $672
More product size

3-Methylbenzyl cyanide Properties

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
Specific Gravity 1.002
color Colorless to Light orange to Yellow
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)
FDA UNII VK65R23ZZK
NIST Chemistry Reference 3-Tolylacetic acid nitrile(2947-60-6)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302+H312+H332-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs Respiratory system
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704
1
2 0

3-Methylbenzyl cyanide price More Price(32)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich M31600 3-Methylbenzyl cyanide 98% 2947-60-6 25g $95.9 2023-06-20 Buy
TCI Chemical X0046 m-Xylyl Cyanide >98.0%(GC) 2947-60-6 25mL $58 2026-04-30 Buy
Usbiological 281539 3-Methylbenzyl cyanide Asreported 2947-60-6 10g $355 2026-06-03 Buy
Usbiological 281539 3-Methylbenzyl cyanide Asreported 2947-60-6 25g $496 2026-06-03 Buy
Usbiological 281539 3-Methylbenzyl cyanide Asreported 2947-60-6 50g $672 2026-06-03 Buy
Product number Packaging Price Buy
M31600 25g $95.9 Buy
X0046 25mL $58 Buy
281539 10g $355 Buy
281539 25g $496 Buy
281539 50g $672 Buy

3-Methylbenzyl cyanide Chemical Properties,Uses,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

sodium:cyanide

773837-37-9

3-Methylbenzyl chloride

620-19-9

3-Methylbenzyl cyanide

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

Global( 166)Suppliers
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View Lastest Price from 3-Methylbenzyl cyanide manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
3-Methylbenzyl cyanide pictures 2026-06-30 3-Methylbenzyl cyanide
2947-60-6
1KG 99.0% 10000KGS Shaanxi Dideu New Materials Co. Ltd
3-Methylbenzyl cyanide pictures 2019-12-31 3-Methylbenzyl cyanide
2947-60-6
$1.00 1KG 99% 100kg Career Henan Chemical Co
3-Methylbenzyl cyanide 98% m-Xylyl Cyanide 3-Tolylacetonitrile Benzeneacetonitrile, 3-methyl- 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