Basic Information | Post buying leads | Suppliers | Cas Database |
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 | 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 |
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