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Structure

N-Heptyl isocyanate

CAS
4747-81-3
Catalog Number
ACM4747813
Category
Other Products
Molecular Weight
141.21
Molecular Formula
C8H15NO
MSDS COA Spec Sheet

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Specification

Synonyms
Heptyl isocyanate, n-Heptyl isocyanate, 389943_ALDRICH, MOLI001872, CID138341, BBV-213233, 4747-81-3
IUPAC Name
1-isocyanatoheptane
Canonical SMILES
CCCCCCCN=C=O
InChI Key
RFXBSYPBSRSQDU-UHFFFAOYSA-N
Boiling Point
164.7ºC at 760mmHg
Flash Point
56ºC
Density
0.87g/cm³
Appearance
clear yellow liquid
Exact Mass
141.11500
Hazard Statements
Xn
H-Bond Acceptor
2
H-Bond Donor
0
Packing Group
III
Safety Description
S16-S26-S45-S36-S37-S39
WGK Germany
3
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