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260354-12-9

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Basic Information
CAS No.: 260354-12-9
Name: 3-CHLORO-1-(2-THIENYL)-1-PROPANOL
Article Data: 6
Molecular Structure:
Molecular Structure of 260354-12-9 (3-CHLORO-1-(2-THIENYL)-1-PROPANOL)
Formula: C7H9ClOS
Molecular Weight: 176.667
Synonyms: 3-Chloro-1-(2-thienyl)-1-propanol;
Density: 1.281 g/cm3
Boiling Point: 308.473 °C at 760 mmHg
Flash Point: 140.36 °C
PSA: 48.47000
LogP: 2.41040
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Specification

The cas register number of alpha-(2-Chloroehtyl)-2-thiophenemethanol is 260354-12-9. It also can be called as 2-Thiophenemethanol, a-(2-chloroethyl)- and the Systematic name about this chemical is 3-chloro-1-(thiophen-2-yl)propan-1-ol.

Physical properties about alpha-(2-Chloroehtyl)-2-thiophenemethanol are: (1)ACD/LogP: 1.67; (2)ACD/LogD (pH 5.5): 2 ; (3)ACD/LogD (pH 7.4): 2 ; (4)ACD/BCF (pH 5.5): 16 ; (5)ACD/BCF (pH 7.4): 16 ; (6)ACD/KOC (pH 5.5): 249 ; (7)ACD/KOC (pH 7.4): 249 ; (8)#H bond acceptors: 1 ; (9)#H bond donors: 1 ; (10)#Freely Rotating Bonds: 4 ; (11)Polar Surface Area: 48.47Å2 ; (12)Index of Refraction: 1.57 ; (13)Molar Refractivity: 45.206 cm3 ; (14)Molar Volume: 137.876 cm3 ; (15)Polarizability: 17.921x10-24cm3 ; (16)Surface Tension: 46.815 dyne/cm; (17)Enthalpy of Vaporization: 57.983 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCC(O)c1sccc1
(2)InChI: InChI=1/C7H9ClOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2
(3)InChIKey: YISRPYKYTBBHBK-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H9ClOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3-4H2
(5)Std. InChIKey: YISRPYKYTBBHBK-UHFFFAOYSA-N