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Structure

1,3-Benzodioxole,5-(isocyanatomethyl)-

CAS
71217-46-4
Catalog Number
ACM71217464
Category
Other Products
Molecular Weight
177.16
Molecular Formula
C9H7 N O3

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Specification

Synonyms
5-(ISOCYANATOMETHYL)-1,3-BENZODIOXOLE;1,3-Benzodioxol-5-ylmethyl isocyanate;1,3-Benzodioxol-5-ylmethyl isocyanate 97%;5-(Isocyanatomethyl)-1,3-benzodioxole 97%
IUPAC Name
5-(isocyanatomethyl)-1,3-benzodioxole
Canonical SMILES
C1OC2=C(O1)C=C(C=C2)CN=C=O
InChI Key
RIUNOJGBBOBVDE-UHFFFAOYSA-N
Boiling Point
277.8ºC at 760 mmHg
Flash Point
136.9ºC
Density
1.3g/cm³
Exact Mass
177.04300
H-Bond Acceptor
4
H-Bond Donor
0
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