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Structure

Benzonitrile,4-butyl-

CAS
20651-73-4
Catalog Number
ACM20651734
Category
Other Products
Molecular Weight
159.23
Molecular Formula
C11H13N

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Specification

Synonyms
4-Butylbenzonitrile, Benzonitrile,4-butyl-, 527777_ALDRICH, ZINC02169280, CID140730, TL 00747, 20651-73-4
IUPAC Name
4-butylbenzonitrile
Canonical SMILES
CCCCC1=CC=C(C=C1)C#N
InChI Key
KGZNJCXNPLUEQS-UHFFFAOYSA-N
Boiling Point
132-133ºC12 mm Hg(lit.)
Flash Point
145 °F
Density
0.924
Appearance
clear colorless liquid
Exact Mass
159.10500
Hazard Statements
Xn,Xi
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36
WGK Germany
3
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