2,1,3-Benzothiadiazol-4-yl isocyanate

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Catalog Number
ACM342411147
Product Name
2,1,3-Benzothiadiazol-4-yl isocyanate
Structure
Structure
CAS
342411-14-7
Category
Heterocyclic Organic Compound
Synonyms
2,1,3-BENZOTHIADIAZOL-4-YL ISOCYANATE;4-ISOCYANATO-2,1,3-BENZOTHIADIAZOLE;1,2,3-Benzothiadiazol-4-ylisocyanate;2,1,3-Benzothiadiazol-4-yl isoxyanate;2,1,3-Benzothiadiazole,4-isocyanato-(9CI);4-isocyanatobenzo[c][1,2,5]thiadiazole
IUPAC Name
4-isocyanato-2,1,3-benzothiadiazole
Molecular Weight
177.18
Molecular Formula
C7H3N3OS
Canonical SMILES
C1=CC2=NSN=C2C(=C1)N=C=O
InChI Key
HPZZFYLZFYDNMA-UHFFFAOYSA-N
Boiling Point
268.1ºC at 760mmHg
Melting Point
81ºC
Flash Point
115.9ºC
Density
1.55g/cm³
Exact Mass
177.00000
Hazard Statements
T: Toxic;
H-Bond Acceptor
5
H-Bond Donor
0
Safety Description
S26-S36/37/39
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