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| CAS No.: | 79387-71-6 |
|---|---|
| Name: | (5-BROMOTHIEN-2-YL)METHANOL |
| Article Data: | 25 |
| Molecular Structure: | |
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| Formula: | C5H5BrOS |
| Molecular Weight: | 193.064 |
| Synonyms: | (5-Bromo-2-thienyl)methanol;(5-Bromothiophen-2-yl)methanol;5-Bromo-2-(hydroxymethyl)thiophene;5-Bromo-2-thiophenemethanol; |
| Density: | 1.772 g/cm3 |
| Boiling Point: | 267.1 °C at 760 mmHg |
| Flash Point: | 115.3 °C |
| PSA: | 48.47000 |
| LogP: | 2.00290 |
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Specification
The (5-Bromothiophen-2-yl)methanol with its cas register number is 79387-71-6. It also can be called as 2-Thiophenemethanol,5-bromo- and the Systematic name about this chemical is (5-bromothiophen-2-yl)methanol.
Physical properties about (5-Bromothiophen-2-yl)methanol are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 9; (5)ACD/BCF (pH 7.4): 9; (6)ACD/KOC (pH 5.5): 169; (7)ACD/KOC (pH 7.4): 169; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 48.47Å2; (12)Index of Refraction: 1.631; (13)Molar Refractivity: 38.779 cm3; (14)Molar Volume: 108.914 cm3; (15)Polarizability: 15.373x10-24cm3; (16)Surface Tension: 53.436 dyne/cm; (17)Enthalpy of Vaporization: 53.361 kJ/mol; (18)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1sc(cc1)CO
(2)InChI: InChI=1/C5H5BrOS/c6-5-2-1-4(3-7)8-5/h1-2,7H,3H2
(3)InChIKey: DBRSLMCLMMFHEF-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C5H5BrOS/c6-5-2-1-4(3-7)8-5/h1-2,7H,3H2
(5)Std. InChIKey: DBRSLMCLMMFHEF-UHFFFAOYSA-N