Benzothiophene supplier | CasNO.11095-43-5

Name
Benzothiophene
EINECS 202-395-7
CAS No. 11095-43-5
Article Data203
CAS DataBase
Density 1.187 g/cm³
Solubility insoluble
Melting Point 28-32℃
Formula C₈H₆S
Boiling Point 221 °C at 760 mmHg
Molecular Weight 134.1982
Flash Point 62 °C
Transport Information
Appearance
Safety
Risk Codes Xn:Harmful;
Molecular Structure
Hazard Symbols R22:;
Synonyms 1-benzothiophene;2,3-Benzothiophene;
PSA 0.00000
LogP 0.00000

Benzothiophene Specification

The Benzothiophene, with the CAS registry number 11095-43-5, has the systematic name of 1-benzothiophene. It is a kind of irritant chemical, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₆S. It occurs naturally as a constituent of petroleum-related deposits such as lignite tar. And it is always used primarily in industry and research.

The physical properties of Benzothiophene are as followings: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.38; (4)ACD/LogD (pH 7.4): 4.38; (5)ACD/BCF (pH 5.5): 1255.45; (6)ACD/BCF (pH 7.4): 1255.45; (7)ACD/KOC (pH 5.5): 5750.69; (8)ACD/KOC (pH 7.4): 5750.69; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 42.47 cm³; (15)Molar Volume: 113 cm³; (16)Polarizability: 16.84×10^-24cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.187 g/cm³; (19)Flash Point: 62 °C; (20)Enthalpy of Vaporization: 43.88 kJ/mol; (21)Boiling Point: 221 °C at 760 mmHg; (22)Vapour Pressure: 0.163 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: s2c1ccccc1cc2
(2)InChI: InChI=1/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
(3)InChIKey: FCEHBMOGCRZNNI-UHFFFAOYAI

Product Name

Benzothiophene

Benzothiophene Specification

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