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5-Chlorothiophene-2-carbonyl chloride

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Name

5-Chlorothiophene-2-carbonyl chloride

EINECS N/A
CAS No. 42518-98-9 Density 1.543 g/cm3
PSA 45.31000 LogP 2.78050
Solubility Slightly soluble in water. Melting Point N/A
Formula C5H2Cl2OS Boiling Point 223.9 °C at 760 mmHg
Molecular Weight 181.042 Flash Point 89.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 42518-98-9 (5-CHLOROTHIOPHENE-2-CARBONYL CHLORIDE) Hazard Symbols N/A
Synonyms

5-Chloro-2-thenoylchloride;5-Chloro-2-thienoyl chloride;5-Chloro-2-thienylcarbonyl chloride;5-Chloro-2-thiophenecarbonyl chloride;5-Chlorothiophen-2-carboxylic acidchloride;

Article Data 89

5-Chlorothiophene-2-carbonyl chloride Specification

The 5-Chlorothiophene-2-carbonyl chloride, with CAS registry number 42518-98-9, belongs to the following product category: Acidhalide. It has the systematic name of 5-chlorothiophene-2-carbonyl chloride. Besides this, it is also called 2-thiophenecarbonyl chloride, 5-chloro-. And the chemical formula of this chemical is C5H2Cl2OS.

Physical properties of 5-Chlorothiophene-2-carbonyl chloride: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 70.27; (6)ACD/BCF (pH 7.4): 70.27; (7)ACD/KOC (pH 5.5): 730.32; (8)ACD/KOC (pH 7.4): 730.32; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 39.77 cm3; (15)Molar Volume: 117.2 cm3; (16)Polarizability: 15.76×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Enthalpy of Vaporization: 46.04 kJ/mol; (19)Vapour Pressure: 0.0937 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1sc(Cl)cc1
(2)InChI: InChI=1/C5H2Cl2OS/c6-4-2-1-3(9-4)5(7)8/h1-2H
(3)InChIKey: BMPDCQVRKDNUAP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H2Cl2OS/c6-4-2-1-3(9-4)5(7)8/h1-2H
(5)Std. InChIKey: BMPDCQVRKDNUAP-UHFFFAOYSA-N

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