2,1,3-Benzoxadiazole

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Catalog Number
ACM273096
Product Name
2,1,3-Benzoxadiazole
Structure
Structure
CAS
273-09-6
Category
Heterocyclic Organic Compound
Synonyms
Benzofurazan, 2,1,3-Benzoxadiazole, Benzo-2,1,3-oxadiazole, 650137_ALDRICH, CID67501, ZINC00161248, KM06477, LS-41587, InChI=1/C6H4N2O/c1-2-4-6-5(3-1)7-9-8-6/h1-4, 273-09-6
IUPAC Name
2,1,3-benzoxadiazole
Molecular Weight
120.11
Molecular Formula
C6H4N2O
Canonical SMILES
C1=CC2=NON=C2C=C1
InChI
InChI=1S/C6H4N2O/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
InChI Key
AWBOSXFRPFZLOP-UHFFFAOYSA-N
Boiling Point
186ºC at 760 mmHg
Melting Point
53 °C
Flash Point
70.8ºC
Density
1.294 g/cm³
Appearance
Light orange to Yellow to Green powder to crystal
EC Number
608-080-4
Exact Mass
120.03200
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
3
H-Bond Donor
0
MDL Number
MFCD00068064
Safety Description
22-24/25
WGK Germany
3
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