Name: 1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE
SKU: 32863-33-5

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Basic Information

Molecular Structure:
CAS No.:	32863-33-5
Name:	1,2,3-BENZOXADIAZOLE-5-CARBALDEHYDE
Article Data:	10

Formula:	C₇H₄N₂O₂
Molecular Weight:	148.121
Synonyms:	5-Benzofurazancarboxaldehyde(8CI);5-Formyl-2,1,3-benzoxadiazole;5-Formylbenzofurazan;Benzo[2,1,3]oxadiazole-5-carboxaldehyde;
Density:	1.417 g/cm³
Melting Point:	58 °C
Boiling Point:	277.3 °C at 760 mmHg
Flash Point:	121.5 °C
Hazard Symbols:	Xi
Safety:	24/25
PSA:	55.99000
LogP:	1.03530

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Specification

The 2,1,3-Benzoxadiazole-5-carbaldehyde is an organic compound with the formula C₇H₄N₂O₂. The IUPAC name of this chemical is 2,1,3-benzoxadiazole-5-carbaldehyde. With the CAS registry number 32863-33-5, it is also named as 1,2,3-Benzoxadiazole-5-carbaldehyde. The product's category is Aldehyde. When you are using it, avoid contact with skin and eyes.

Physical properties about 2,1,3-Benzoxadiazole-5-carbaldehyde are: (1)ACD/LogP: 1.11; (2)ACD/LogD (pH 5.5): 1.11; (3)ACD/LogD (pH 7.4): 1.11; (4)ACD/BCF (pH 5.5): 4.12; (5)ACD/BCF (pH 7.4): 4.12; (6)ACD/KOC (pH 5.5): 95.89; (7)ACD/KOC (pH 7.4): 95.89; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 55.99 Å²; (11)Index of Refraction: 1.676; (12)Molar Refractivity: 39.33 cm³; (13)Molar Volume: 104.4 cm³; (14)Polarizability: 15.59×10^-24cm³; (15)Surface Tension: 66.6 dyne/cm; (16)Density: 1.417 g/cm³; (17)Flash Point: 121.5 °C; (18)Enthalpy of Vaporization: 51.58 kJ/mol; (19)Boiling Point: 277.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00457 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc2nonc2c1
(2)InChI: InChI=1/C7H4N2O2/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-4H
(3)InChIKey: STVDCFOBQWMSHN-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H4N2O2/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-4H
(5)Std. InChIKey: STVDCFOBQWMSHN-UHFFFAOYSA-N