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Structure

1,4-Benzodioxin,2,3-dihydro-6-isocyanato-

CAS
100275-94-3
Catalog Number
ACM100275943
Category
Other Products
Molecular Weight
177.16
Molecular Formula
C9H7 N O3

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Specification

Synonyms
569186_ALDRICH, 6-Isocyanato-1,4-benzodioxane, ZINC04277235, ALBB-003046, STK502566, BBV-213378, CID2776172, 6-isocyanato-2,3-dihydro-1,4-benzodioxine, 100275-94-3
IUPAC Name
7-isocyanato-2,3-dihydro-1,4-benzodioxine
Canonical SMILES
C1COC2=C(O1)C=CC(=C2)N=C=O
InChI Key
OGVYMEFCSKVNQH-UHFFFAOYSA-N
Boiling Point
286.2ºC at 760mmHg
Flash Point
143.2ºC
Density
1.3g/cm³
Exact Mass
177.04300
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
4
H-Bond Donor
0
Safety Description
26-36
WGK Germany
3
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