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
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)
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
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.
N-Bromosuccinimide Price
- Product number
- M31600
- Product name
- 3-Methylbenzyl cyanide
- Purity
- 98%
- Packaging
- 25g
- Price
- $95.9
- Updated
- 2023/06/20
- Product number
- X0046
- Product name
- m-Xylyl Cyanide
- Purity
- >98.0%(GC)
- Packaging
- 25mL
- Price
- $54
- Updated
- 2025/07/31
- Product number
- JK130402
- Product name
- m-Tolylacetonitrile
- Purity
- 98%
- Packaging
- 25g
- Price
- $74
- Updated
- 2021/12/16
- Product number
- JK130402
- Product name
- m-Tolylacetonitrile
- Purity
- 98%
- Packaging
- 5g
- Price
- $19
- Updated
- 2021/12/16
- Product number
- 59965
- Product name
- (3-Methylphenyl)acetonitrile
- Packaging
- 1g
- Price
- $610
- Updated
- 2021/12/16
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
- 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
- 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