Product Name: Benzofuroxan (CAS NO.480-96-6)
Molecular Formula: C6H4N2O2
Molecular Weight: 136.11g/mol
Mol File: 480-96-6.mol
Einecs: 207-559-1
Appearance: Mustard colored powder
Melting Point: 66-69 °C
Boiling point: 246.2 °C at 760 mmHg
Storage Temperature: 2-8°C
Flash Point: 102.7 °C
Density: 1.49 g/cm3
Surface Tension: 61.2 dyne/cm
Enthalpy of Vaporization: 46.37 kJ/mol
Vapour Pressure: 0.0433 mmHg at 25°C
XLogP3-AA: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Benzofuroxan (CAS NO.480-96-6):
IUPAC Name: 1-oxido-2,1,3-benzoxadiazol-1-ium
Canonical SMILES: C1=CC2=NO[N+](=C2C=C1)[O-]
InChI: InChI=1S/C6H4N2O2/c9-8-6-4-2-1-3-5(6)7-10-8/h1-4H
InChIKey: OKEAMBAZBICIFP-UHFFFAOYSA-N
Product Categories: Pharmaceutical Intermediates
Safety Information of Benzofuroxan (CAS NO.480-96-6):
Hazard Codes: Xi
Risk Statements: 36/37/38
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 24/25-36-26
24: Avoid contact with skin
25: Avoid contact with eyes
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
Benzofuroxan ,its CAS NO. is 480-96-6,the synonyms is AI3-62099 ; Benzofurazan N-oxide ; Benzofurazan oxide ; Benzofurazan, 1-oxide ; EINECS 207-559-1 ; NSC 19930 ; 1-Benzo-2-oxa-1,3-diazole oxide ; 2,1,3-Benzoxadiazole, 1-oxide .
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