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Structure

Benzene,1-butyl-4-isocyanato-

CAS
69342-47-8
Catalog Number
ACM69342478
Category
Other Products
Molecular Weight
175.23
Molecular Formula
C11H13NO

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Specification

Synonyms
4-Butylphenyl isocyanate, 1-butyl-4-isocyanatobenzene, 483400_ALDRICH, 4-n-BUTYLPHENYLISOCYANATE, STK502551, ZINC02170350, ALBB-003031, CID2796313, 69342-47-8
IUPAC Name
1-butyl-4-isocyanatobenzene
Canonical SMILES
CCCCC1=CC=C(C=C1)N=C=O
InChI Key
LJJRXPXDTAUVQU-UHFFFAOYSA-N
Boiling Point
108ºC (3 torr)
Flash Point
227 °F
Density
0.992
Exact Mass
175.10000
Hazard Statements
Xn,Xi
H-Bond Acceptor
2
H-Bond Donor
0
Packing Group
III
Safety Description
S23-S26-S36/37/39-S45
WGK Germany
3
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