6-Benzothiazolecarboxylicacid, 2-chloro- supplier

Name
2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID
EINECS 201-215-5
CAS No. 3855-95-6
Density 1.634g/cm³
Solubility
Melting Point 220-221°C
Formula C₈H₄ClNO₂S
Boiling Point 398.2 °C at 760 mmHg
Molecular Weight 213.64086
Flash Point 194.7 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols XiXi
Synonyms 2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID;2-CHLORO-6-BENZOTHIAZOLECARBOXYLIC ACID;6-Benzothiazolecarboxylicacid,2-chloro-(7CI,8CI,9CI);2-chlorobenzo[d]thiazole-6-carboxylic acid;2-Chloro-benzothiazole-6-carboxylic acid;6-Carboxy-2-chloro-1,3-benzothiazole
PSA 78.43000
LogP 2.64790

6-Benzothiazolecarboxylicacid, 2-chloro- Specification

The 6-Benzothiazolecarboxylicacid, 2-chloro-, with CAS registry number 3855-95-6, belongs to the following product category: Benzothiazole. It has the systematic name of 2-chloro-1,3-benzothiazole-6-carboxylic acid. And the chemical formula of this chemnical is C₈H₄ClNO₂S.

Physical properties of 6-Benzothiazolecarboxylicacid, 2-chloro-: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 2.19; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.09; (8)ACD/KOC (pH 7.4): 1.04; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 78.43 Å²; (13)Index of Refraction: 1.733; (14)Molar Refractivity: 52.39 cm³; (15)Molar Volume: 130.7 cm³; (16)Polarizability: 20.77×10^-24cm³; (17)Surface Tension: 76.3 dyne/cm; (18)Density: 1.634 g/cm³; (19)Flash Point: 194.7 °C; (20)Enthalpy of Vaporization: 68.42 kJ/mol; (21)Boiling Point: 398.2 °C at 760 mmHg; (22)Vapour Pressure: 4.67E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc2nc(Cl)sc2c1
(2)InChI: InChI=1/C8H4ClNO2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H,11,12)
(3)InChIKey: QLAKWSXVXQRGDB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H4ClNO2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H,11,12)
(5)Std. InChIKey: QLAKWSXVXQRGDB-UHFFFAOYSA-N

Product Name

2-CHLORO-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID

6-Benzothiazolecarboxylicacid, 2-chloro- Specification

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