Ethyl 2-chloro-6-benzothiazolecarboxylate supplier

Name
Ethyl 2-chloro-6-benzothiazolecarboxylate
EINECS
CAS No. 78485-37-7
Article Data6
CAS DataBase
Density 1.400 g/cm³
Solubility
Melting Point 90-92 °C
Formula C₁₀H₈ClNO₂S
Boiling Point 340.5 °C at 760 mmHg
Molecular Weight 241.698
Flash Point 159.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chlorobenzothiazole-6-carboxylicacid ethyl ester;Ethyl 2-chlorobenzo[d]thiazole-6-carboxylate;
PSA
LogP

Ethyl 2-chloro-6-benzothiazolecarboxylate Specification

The Ethyl 2-chloro-6-benzothiazolecarboxylate, with the CAS registry number 78485-37-7, is also known as 2-Chlorobenzothiazole-6-carboxylic acid ethyl ester. This chemical's molecular formula is C₁₀H₈ClNO₂S and molecular weight is 241.69. Its IUPAC name is called ethyl 2-chloro-1,3-benzothiazole-6-carboxylate.

Physical properties of Ethyl 2-chloro-6-benzothiazolecarboxylate: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 564.13; (6)ACD/BCF (pH 7.4): 564.13; (7)ACD/KOC (pH 5.5): 3243.69; (8)ACD/KOC (pH 7.4): 3243.7; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.635; (13)Molar Refractivity: 61.87 cm³; (14)Molar Volume: 172.6 cm³; (15)Surface Tension: 54.4 dyne/cm; (16)Density: 1.4 g/cm³; (17)Flash Point: 159.7 °C; (18)Enthalpy of Vaporization: 58.4 kJ/mol; (19)Boiling Point: 340.5 °C at 760 mmHg; (20)Vapour Pressure: 8.58E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC2=C(C=C1)N=C(S2)Cl
(2)InChI: InChI=1S/C10H8ClNO2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3
(3)InChIKey: XISSCVMIXDMKLH-UHFFFAOYSA-N

Product Name

Ethyl 2-chloro-6-benzothiazolecarboxylate

Ethyl 2-chloro-6-benzothiazolecarboxylate Specification

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