CAS No.82212-14-4,2-chloro-5-(1H-tetrazol-5-yl)sulphanilamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	82212-14-4
Name:	2-chloro-5-(1H-tetrazol-5-yl)sulphanilamide

Formula:	C₇H₇ClN₆O₂S
Molecular Weight:	274.691
Synonyms:	Benzenesulfonamide,4-amino-2-chloro-5-(1H-tetrazol-5-yl)- (9CI);4-Amino-2-chloro-5-(1H-tetrazol-5-yl)benzenesulfonamide;
EINECS:	279-922-2
Density:	1.762 g/cm³
Boiling Point:	633.871 °C at 760 mmHg
Flash Point:	337.153 °C
PSA:	149.02000
LogP:	2.11200

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Specification

The Benzenesulfonamide,4-amino-2-chloro-5-(2H-tetrazol-5-yl)-, with the CAS registry number 82212-14-4, is also known as 2-Chloro-5-(1H-tetrazol-5-yl)sulphanilamide. Its EINECS registry number is 279-922-2. This chemical's molecular formula is C₇H₇ClN₆O₂S and molecular weight is 274.68748. What's more, both its IUPAC name and systematic name are the same which is called 4-Amino-2-chloro-5-(2H-tetrazol-5-yl)benzenesulfonamide.

Physical properties about Benzenesulfonamide,4-amino-2-chloro-5-(2H-tetrazol-5-yl)- are: (1)ACD/LogP: -0.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 149.02 Å²; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 59.663 cm³; (15)Molar Volume: 155.891 cm³; (16)Surface Tension: 104.272 dyne/cm; (17)Density: 1.762 g/cm³; (18)Flash Point: 337.153 °C; (19)Enthalpy of Vaporization: 93.695 kJ/mol; (20)Boiling Point: 633.871 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(N)c2c(Cl)cc(c(c1nnnn1)c2)N
(2) InChI: InChI=1/C7H7ClN6O2S/c8-4-2-5(9)3(7-11-13-14-12-7)1-6(4)17(10,15)16/h1-2H,9H2,(H2,10,15,16)(H,11,12,13,14)
(3) InChIKey: OKHJHVJXPHYALI-UHFFFAOYAU