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Structure

(S)-(+)-2-Hexyl isocyanate

CAS
745783-78-2
Catalog Number
ACM745783782
Category
Other Products
Molecular Weight
127.18
Molecular Formula
C7H13NO

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Specification

Synonyms
(S)-(+)-2-HEXYL ISOCYANATE, AG-G-96595, 745783-78-2, CTK3J6497, ZINC02548063
IUPAC Name
(2S)-2-isocyanatohexane
Canonical SMILES
CCCCC(C)N=C=O
InChI Key
JNWLFMYCGXLVJQ-ZETCQYMHSA-N
Boiling Point
155.2ºC at 760 mmHg
Flash Point
46.4ºC
Density
0.87g/cm³
Exact Mass
127.10000
H-Bond Acceptor
2
H-Bond Donor
0
Packing Group
III
Safety Description
23-26-36/37/39-45
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