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ALPHA-METHYLPHENYLACETONITRILE

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ALPHA-METHYLPHENYLACETONITRILE manufacturers

ALPHA-METHYLPHENYLACETONITRILE Basic information
Synthesis
Product Name:ALPHA-METHYLPHENYLACETONITRILE
Synonyms:alpha-methyl-benzeneacetonitril;A-METHYLBENZYL CYANIDE;A-METHYLPHENYLACETONITRILE;ALPHA-METHYLBENZYL CYANIDE;ALPHA-METHYLPHENYLACETONITRILE;à-methylbenzyl cyanide;à-methylphenylacetonitrile;ɑ-Methylphenylacetonitrile, 97%
CAS:1823-91-2
MF:C9H9N
MW:131.17
EINECS:217-354-9
Product Categories:Building Blocks;C8 to C9;Chemical Synthesis;Cyanides/Nitriles;Nitrogen Compounds;Organic Building Blocks;Aromatics;Miscellaneous Reagents
Mol File:1823-91-2.mol
ALPHA-METHYLPHENYLACETONITRILE Structure
ALPHA-METHYLPHENYLACETONITRILE Chemical Properties
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 limitsNIOSH: IDLH 25 mg/m3
InChI1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKeyNVAOLENBKNECGF-UHFFFAOYSA-N
SMILESCC(C#N)c1ccccc1
CAS DataBase Reference1823-91-2(CAS DataBase Reference)
EPA Substance Registry SystemBenzeneacetonitrile, .alpha.-methyl- (1823-91-2)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 20/21/22-36/37/38
Safety Statements 26-27-37/39
RIDADR UN 3276 6.1/PG 3
WGK Germany 3
TSCA TSCA listed
HazardClass 6.1
PackingGroup III
HS Code 29269090
Storage Class6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard ClassificationsAcute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
ALPHA-METHYLPHENYLACETONITRILE Usage And Synthesis
SynthesisCN201811310926.5 provides a method for methylating phenylacetonitrile based on pressure distillation technology, including the following steps:

Synthetic route of ALPHA-METHYLPHENYLACETONITRILE

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 PropertiesCLEAR VERY SLIGHTLY YELLOW LIQUID
Uses2-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
ALPHA-METHYLPHENYLACETONITRILE Preparation Products And Raw materials
Preparation ProductsEthyl 5-amino-4-phenylisoxazole-3-carboxylate-->2-Phenylpropan-1-amine hydrochloride
Tag:ALPHA-METHYLPHENYLACETONITRILE(1823-91-2) Related Product Information
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