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Structure

3-Isocyanatobenzoyl chloride

CAS
5180-79-0
Catalog Number
ACM5180790
Category
Other Products
Molecular Weight
181.58
Molecular Formula
C8H4ClNO2
MSDS COA Spec Sheet

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Specification

Synonyms
3-Isocyanatobenzoyl chloride, 478504_ALDRICH, ZINC02560439, CID5214895, 5180-79-0
IUPAC Name
3-isocyanatobenzoyl chloride
Canonical SMILES
C1=CC(=CC(=C1)N=C=O)C(=O)Cl
InChI Key
WBLVOWAHPPPNLF-UHFFFAOYSA-N
Boiling Point
91ºC (3 torr)
Flash Point
107.1ºC
Density
1.333
Exact Mass
180.99300
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
II
Safety Description
S23-S26-S36/37/39-S45
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