2-(3,4-Dimethylphenyl)acetonitrile

HCID 76401

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Basic information

CAS: 3020-06-2
Standard SMILES: Cc1ccc(CC#N)cc1C
InChIKey: XNSHCUIBMZSUGL-UHFFFAOYSA-N
Molecular formula: C10H11N
Average molar mass: 145.2 g/mol
Monoisotopic mass: 145.08914935

Names & identifiers

Preferred name: 2-(3,4-Dimethylphenyl)acetonitrile
IUPAC: 2-(3,4-dimethylphenyl)acetonitrile
English name: 3,4-Dimethylphenylacetonitrile
Molecular formula: C10H11N
Molecular weight: 145.2

Names & synonyms

2-(3,4-dimethylphenyl)acetonitrile3020-06-23,4-DIMETHYLPHENYLACETONITRILE3,4-XylylacetonitrileBenzeneacetonitrile, 3,4-dimethyl-MFCD00019829CP3RTS4L38(3,4-Dimethylphenyl)acetonitrileNSC-262323,4-Dimethylacetonitrile3,4-DimethylbenzeneacetonitrileNSC26232

Show more names

2-(3,4-dimethylphenyl)ethanenitrile2-(3,4-Dimethylphenyl)-acetonitrile

UNII-CP3RTS4L38SCHEMBL3244749DTXSID80184296ACETONITRILE, 3,4-XYLYL-(3,4-Dimethylphenyl)acetonitrile #EINECS 221-168-3NSC 26232AKOS010813880

Database identifiers

CAS: 3020-06-2
PubChem CID: 76401
DTXSID: DTXSID80184296
UNII: CP3RTS4L38
EC Number: 221-168-3
Nikkaji: J205.323C

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 165

Physicochemical properties

Melting point: 35 · 35-38 °C
Boiling point: 86 °C · 86°C 1mm
Density: 0 · 0,99 g/cm3
storage temp.: 2 · 2-8°C
Appearance: colorless liquid
FDA UNII: 3 RTS4L38 · CP3RTS4L38
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H319-H332
Precautionary statements: 280 · P280-P310-P305+P351+P338
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 3276 · 3276
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.