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57500-51-3

Basic Information
CAS No.: 57500-51-3
Name: 4-CHLORO-2-THIOPHENECARBOXALDEHYDE
Article Data: 4
Molecular Structure:
Molecular Structure of 57500-51-3 (4-CHLORO-2-THIOPHENECARBOXALDEHYDE)
Formula: C5H3ClOS
Molecular Weight: 146.597
Synonyms: 4-Chloro-2-thiophenecarboxaldehyde;
Density: 1.43 g/cm3
Boiling Point: 231.182 °C at 760 mmHg
Flash Point: 93.616 °C
PSA: 45.31000
LogP: 2.21400
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Specification

The CAS register number of 2-Thiophenecarboxaldehyde,4-chloro- is 57500-51-3. It also can be called as 4-Chloro-2-thiophenecarboxaldehyde and the IUPAC name about this chemical is 4-chlorothiophene-2-carbaldehyde. The molecular formula about this chemical is C5H3ClOS and the molecular weight is 146.5947.

Physical properties about 2-Thiophenecarboxaldehyde,4-chloro- are: (1)ACD/LogP: 1.75; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 13; (5)ACD/BCF (pH 7.4): 13; (6)ACD/KOC (pH 5.5): 212; (7)ACD/KOC (pH 7.4): 212; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.31Å2; (11)Index of Refraction: 1.626; (12)Molar Refractivity: 36.285 cm3; (13)Molar Volume: 102.53 cm3; (14)Polarizability: 14.385x10-24cm3; (15)Surface Tension: 49.067 dyne/cm; (16)Enthalpy of Vaporization: 46.784 kJ/mol; (17)Boiling Point: 231.182 °C at 760 mmHg; (18)Vapour Pressure: 0.063 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(csc1C=O)Cl
(2)InChI: InChI=1/C5H3ClOS/c6-4-1-5(2-7)8-3-4/h1-3H
(3)InChIKey: YYEIZVYJDLYMIH-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H3ClOS/c6-4-1-5(2-7)8-3-4/h1-3H
(5)Std. InChIKey: YYEIZVYJDLYMIH-UHFFFAOYSA-N