Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,1,3-Benzoxadiazole-5-carbaldehyde |
EINECS | N/A |
CAS No. | 32863-33-5 | Density | 1.417 g/cm3 |
PSA | 55.99000 | LogP | 1.03530 |
Solubility | N/A | Melting Point |
58 °C |
Formula | C7H4N2O2 | Boiling Point | 277.3 °C at 760 mmHg |
Molecular Weight | 148.121 | Flash Point | 121.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Benzofurazancarboxaldehyde(8CI);5-Formyl-2,1,3-benzoxadiazole;5-Formylbenzofurazan;Benzo[2,1,3]oxadiazole-5-carboxaldehyde; |
Article Data | 10 |
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