2,1,3-Benzoxadiazole-4-sulfonylchloride, 5-chloro- supplier

Name
5-CHLORO-2,1,3-BENZOXADIAZOLE-4-SULFONYL CHLORIDE
EINECS
CAS No. 175203-78-8
Density 1.789 g/cm³
Solubility
Melting Point 73 °C
Formula C₆H₂Cl₂N₂O₃S
Boiling Point 381.5 °C at 760 mmHg
Molecular Weight 253.065
Flash Point 184.5 °C
Transport Information
Appearance
Safety 26
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols Xi; C
Synonyms 5-Chloro-2,1,3-benzoxadiazole-4-sulfonylchloride;2,1,3-Benzoxadiazole-4-sulfonyl chloride, 5-chloro-;
PSA 81.44000
LogP 2.88450

2,1,3-Benzoxadiazole-4-sulfonylchloride, 5-chloro- Specification

The 2,1,3-Benzoxadiazole-4-sulfonylchloride, 5-chloro-, with the CAS registry number 175203-78-8, has the systematic name of 5-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride. It belongs to the product category of Benzenesulfonyl chloride. And the molecular formula of the chemical is C₆H₂Cl₂N₂O₃S.

The characteristics of 2,1,3-Benzoxadiazole-4-sulfonylchloride, 5-chloro- are as followings: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 14.06; (6)ACD/BCF (pH 7.4): 14.06; (7)ACD/KOC (pH 5.5): 230.83; (8)ACD/KOC (pH 7.4): 230.83; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 81.44 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 50.86 cm³; (15)Molar Volume: 141.3 cm³; (16)Polarizability: 20.16×10^-24cm³; (17)Surface Tension: 71 dyne/cm; (18)Density: 1.789 g/cm³; (19)Flash Point: 184.5 °C; (20)Enthalpy of Vaporization: 60.52 kJ/mol; (21)Boiling Point: 381.5 °C at 760 mmHg; (22)Vapour Pressure: 1.11E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClS(=O)(=O)c1c(Cl)ccc2nonc12
(2)InChI: InChI=1/C6H2Cl2N2O3S/c7-3-1-2-4-5(10-13-9-4)6(3)14(8,11)12/h1-2H
(3)InChIKey: ZFBZICACMDZKNQ-UHFFFAOYAG

Product Name

5-CHLORO-2,1,3-BENZOXADIAZOLE-4-SULFONYL CHLORIDE

2,1,3-Benzoxadiazole-4-sulfonylchloride, 5-chloro- Specification

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