Structure

Pentamethylphenylacetonitrile

CAS
34688-70-5
Catalog Number
ACM34688705
Category
Other Products
Molecular Weight
187.28
Molecular Formula
C13H17N

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Specification

Synonyms
Pentamethylphenylacetonitrile, Maybridge3_000926, MolPort-002-497-993, ZINC01045433, HMS1433K02, CID141915, CD00059, (2,3,4,5,6-Pentamethylphenyl)acetonitrile, IDI1_012313, 34688-70-5
IUPAC Name
2-(2,3,4,5,6-pentamethylphenyl)acetonitrile
SMILES
CC1=C(C(=C(C(=C1C)C)CC#N)C)C
InChI Key
FJHYQRAQLGAUPF-UHFFFAOYSA-N
Boiling Point
325.9ºC at 760mmHg
Melting Point
105-107ºC
Flash Point
160.2ºC
Density
0.95g/cm³
Exact Mass
187.13600
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S22-S36/37

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