Benzo[b]thiophene-7-methanol supplier

Name
1-benzothien-7-ylmethanol
EINECS
CAS No. 51830-53-6
Article Data2
CAS DataBase
Density 1.295 g/cm³
Solubility
Melting Point 76.5 °C
Formula C₉H₈OS
Boiling Point 324.016 °C at 760 mmHg
Molecular Weight 164.228
Flash Point 149.76 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-benzothien-7-ylmethanol;7-(Hydroxymethyl)benzo[b]thiophene;7-(Hydroxymethyl)benzo[b]thiophene 97%;
PSA 48.47000
LogP 2.39360

Benzo[b]thiophene-7-methanol Specification

The CAS register number of Benzo[b]thiophene-7-methanol is 51830-53-6. It also can be called as 7-(Hydroxymethyl)benzo[b]thiophene and the systematic name about this chemical is 1-benzothiophen-7-ylmethanol. The molecular formula about this chemical is C₉H₈OS and the molecular weight is 164.22422.

Physical properties about Benzo[b]thiophene-7-methanol are: (1)ACD/LogP: 2.31; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 158; (5)ACD/BCF (pH 7.4): 158; (6)ACD/KOC (pH 5.5): 1306; (7)ACD/KOC (pH 7.4): 1306; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 48.47 Å²; (12)Index of Refraction: 1.698; (13)Molar Refractivity: 48.931 cm³; (14)Molar Volume: 126.845 cm³; (15)Polarizability: 19.398x10^-24cm³; (16)Surface Tension: 56.528 dyne/cm; (17)Density: 1.295 g/cm³; (18)Flash Point: 149.76 °C; (19)Enthalpy of Vaporization: 59.751 kJ/mol; (20)Boiling Point: 324.016 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cccc2ccsc12
(2)InChI: InChI=1/C9H8OS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,10H,6H2
(3)InChIKey: AQJJFNFAYMLSNA-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H8OS/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5,10H,6H2
(5)Std. InChIKey: AQJJFNFAYMLSNA-UHFFFAOYSA-N

Product Name

1-benzothien-7-ylmethanol

Benzo[b]thiophene-7-methanol Specification

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