CAS No.126147-86-2,BENZOFURAZAN-5-CARBONYL CHLORIDE Suppliers

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Molecular Structure:
CAS No.:	126147-86-2
Name:	BENZOFURAZAN-5-CARBONYL CHLORIDE
Article Data:	4

Formula:	C₇H₃ClN₂O₂
Molecular Weight:	182.566
Synonyms:	5-Benzofurazancarbonylchloride;Benzo[1,2,5]oxadiazole-5-carbonyl chloride;
Density:	1.531 g/cm³
Melting Point:	55 °C
Boiling Point:	282.1 °C at 760 mmHg
Flash Point:	124.4 °C
Hazard Symbols:	Xi
Risk Codes:	34
Safety:	26-36/37/39
PSA:	55.99000
LogP:	1.60180

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Specification

The 2,1,3-Benzoxadiazole-5-carbonylchloride, with the CAS registry number of 126147-86-2, is also known as BUTTPARK 29\08-26 and TIMTEC-BB SBB005460. This chemical's molecular formula is C₇H₃ClN₂O₂ and molecular weight is 182.56. Its systematic name and IUPAC name are the same which is called 2,1,3-benzoxadiazole-5-carbonyl chloride.

Physical properties of this chemical are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.16; (6)ACD/BCF (pH 7.4): 11.16; (7)ACD/KOC (pH 5.5): 195.69; (8)ACD/KOC (pH 7.4): 195.69; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 42.82 cm³; (14)Molar Volume: 119.1 cm³; (15)Surface Tension: 64 dyne/cm; (16)Density: 1.531 g/cm³; (17)Flash Point: 124.4 °C; (18)Enthalpy of Vaporization: 52.09 kJ/mol; (19)Boiling Point: 282.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00343 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1ccc2nonc2c1
(2)InChI: InChI=1/C7H3ClN2O2/c8-7(11)4-1-2-5-6(3-4)10-12-9-5/h1-3H
(3)InChIKey: ODCMBRSQNVPDOK-UHFFFAOYAU