| Identification | More | [Name]
ALPHA-METHYLPHENYLACETONITRILE | [CAS]
1823-91-2 | [Synonyms]
2-PHENYLPROPIONITRILE
ALPHA-METHYLBENZYL CYANIDE
ALPHA-METHYLPHENYLACETONITRILE
A-METHYLBENZYL CYANIDE
A-METHYLPHENYLACETONITRILE
alpha-methyl-benzeneacetonitril
2-phenylpropiononitrile
2-alpha-Phenylpropionitrile
alpha-Methylbenzyl
à-methylbenzyl cyanide
à-methylphenylacetonitrile
ɑ-Methylphenylacetonitrile, 97%
2-Phenylpropanenitrile
α-Phenylpropiononitrile | [EINECS(EC#)]
217-354-9 | [Molecular Formula]
C9H9N | [MDL Number]
MFCD00001871 | [Molecular Weight]
131.17 | [MOL File]
1823-91-2.mol |
| Questions And Answer | Back Directory | [Synthesis]
CN201811310926.5 provides a method for methylating phenylacetonitrile based on pressure distillation technology, including the following steps: 
1) Phenylacetonitrile, sodium alkoxide, and dimethyl carbonate (dimethyl carbonate serves as both a methylating agent and a solvent) are mixed in a molar ratio of 1:0.1～0.4:4～10, and reacted at a pressure of 2±0.2 MPa and a reaction temperature of 160～200℃ for 4～8 h; 2) After the reaction is complete, cool the mixture (100 ± 5 °C) to allow it to undergo first atmospheric distillation, followed by vacuum distillation (20 mmHg). Collect the fraction at 108–113 °C to obtain ALPHA-METHYLPHENYLACETONITRILE as the product. |
| Chemical Properties | Back Directory | [Appearance]
CLEAR VERY SLIGHTLY YELLOW LIQUID | [Melting point ]
210 °C(Solv: ethyl ether (60-29-7); chloroform (67-66-3)) | [Boiling point ]
231 °C | [density ]
0.985 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.5106(lit.)
| [Fp ]
201 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform | [form ]
Oil | [color ]
Clear Pale Yellow | [BRN ]
774576 | [Exposure limits]
NIOSH: IDLH 25 mg/m3 | [InChI]
1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3 | [InChIKey]
NVAOLENBKNECGF-UHFFFAOYSA-N | [SMILES]
CC(C#N)c1ccccc1 | [CAS DataBase Reference]
1823-91-2(CAS DataBase Reference) | [EPA Substance Registry System]
Benzeneacetonitrile, .alpha.-methyl- (1823-91-2) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
UN 3276 6.1/PG 3
| [WGK Germany ]
3
| [TSCA ]
Yes | [REACH Registrations]
Active | [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 |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR VERY SLIGHTLY YELLOW LIQUID | [Uses]
2-Phenylpropionitrile (cas# 1823-91-2) is a compound useful in organic synthesis. | [Synthesis Reference(s)]
Chemistry Letters, 19, p. 765, 1990
Synthetic Communications, 16, p. 499, 1986 DOI: 10.1080/00397918608078763 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|