2,1,3-Benzoxadiazole-5-methanol supplier

Name
2,1,3-BENZOXADIAZOL-5-YLMETHANOL
EINECS
CAS No. 59660-56-9
Article Data7
CAS DataBase
Density 1.408 g/cm³
Solubility
Melting Point 66 °C
Formula C₇H₆N₂O₂
Boiling Point 300.1 °C at 760 mmHg
Molecular Weight 150.137
Flash Point 135.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,1,3-Benzooxadiazole-5-methanol;(Benzo[c]-1,2,5-oxadiazol-5-yl)methanol;5-Benzofurazanmethanol;
PSA 59.15000
LogP 0.71510

2,1,3-Benzoxadiazole-5-methanol Specification

The 2,1,3-Benzoxadiazole-5-methanol, with the CAS registry number of 59660-56-9, is also known as Buttpark 154\50-14 and Rarechem al bd 1194. This chemical's molecular formula is C₇H₆N₂O₂ and molecular weight is 150.1347. Its systematic name and IUPAC name are the same which is called 2,1,3-benzoxadiazol-5-ylmethanol.

Physical properties of this chemical are: (1)ACD/LogP: 0.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.43; (6)ACD/BCF (pH 7.4): 1.43; (7)ACD/KOC (pH 5.5): 44.92; (8)ACD/KOC (pH 7.4): 44.92; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.653; (13)Molar Refractivity: 39.02 cm³; (14)Molar Volume: 106.6 cm³; (15)Surface Tension: 68.7 dyne/cm; (16)Density: 1.408 g/cm³; (17)Flash Point: 135.3 °C; (18)Enthalpy of Vaporization: 57.04 kJ/mol; (19)Boiling Point: 300.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00051 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1onc2cc(ccc12)CO
(2)InChI: InChI=1/C7H6N2O2/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-3,10H,4H2
(3)InChIKey: HSIHJRXNWRCVOM-UHFFFAOYAD

Product Name

2,1,3-BENZOXADIAZOL-5-YLMETHANOL

2,1,3-Benzoxadiazole-5-methanol Specification

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