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65782-04-9

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Basic Information
CAS No.: 65782-04-9
Name: 2-Thiophenecarboxaldehyde,5-chloro-4-methyl-
Molecular Structure:
Molecular Structure of 65782-04-9 (2-Thiophenecarboxaldehyde,5-chloro-4-methyl-)
Formula: C6H5ClOS
Molecular Weight: 160.624
Synonyms: 5-Chloro-4-methylthiophene-2-carboxaldehyde;
Density: 1.352 g/cm3
Boiling Point: 237.311 °C at 760 mmHg
Flash Point: 97.323 °C
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    5-Chloro-4-methyl-2-thiophenecarboxaldehyde

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Specification

The 2-Thiophenecarboxaldehyde,5-chloro-4-methyl- is an organic compound with the formula C6H5ClOS. The systematic name of this chemical is 5-Chloro-4-methylthiophene-2-carbaldehyde. The CAS registry number 65782-04-9. Besides, its molecular weight is 160.6213.

The physical properties of 2-Thiophenecarboxaldehyde,5-chloro-4-methyl- are: (1)ACD/LogP: 2.50; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 25; (5)ACD/BCF (pH 7.4): 25; (6)ACD/KOC (pH 5.5): 349; (7)ACD/KOC (pH 7.4): 349; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.31 Å2; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 41.11 cm3; (13)Molar Volume: 118.805 cm3; (14)Polarizability: 16.297×10-24 cm3; (15)Surface Tension: 45.764 dyne/cm; (16)Density: 1.352 g/cm3; (17)Flash Point: 97.323 °C; (18)Enthalpy of Vaporization: 47.413 kJ/mol; (19)Boiling Point: 237.311 °C at 760 mmHg; (20)Vapour Pressure: 0.045 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(C)c(Cl)s1
(2)InChI: InChI=1/C6H5ClOS/c1-4-2-5(3-8)9-6(4)7/h2-3H,1H3
(3)InChIKey: XYJKBLZSWUYADH-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H5ClOS/c1-4-2-5(3-8)9-6(4)7/h2-3H,1H3
(5)Std. InChIKey: XYJKBLZSWUYADH-UHFFFAOYSA-N