7-Chloro-3-methyl benzo[b]thiophene supplier

Name
7-CHLORO-3-METHYL BENZO[B]THIOPHENE
EINECS
CAS No. 17514-68-0
Article Data8
CAS DataBase
Density 1.293 g/cm³
Solubility
Melting Point
Formula C₉H₇ClS
Boiling Point 280.5 °C at 760 mmHg
Molecular Weight 182.674
Flash Point 163.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-Chloro-3-methylbenzo[b]thiophene;7-chloro-3-methyl-1-benzothiophene;benzo[b]thiophene, 7-chloro-3-methyl-;
PSA 28.24000
LogP 3.86310

7-Chloro-3-methyl benzo[b]thiophene Specification

The Benzo[b]thiophene,7-chloro-3-methyl-, with the CAS registry number 17514-68-0, has the systematic name of 7-chloro-3-methyl-1-benzothiophene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₇ClS.

The characteristics of Benzo[b]thiophene,7-chloro-3-methyl- are as followings: (1)ACD/LogP: 5.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.44; (4)ACD/LogD (pH 7.4): 5.44; (5)ACD/BCF (pH 5.5): 7956.28; (6)ACD/BCF (pH 7.4): 7956.28; (7)ACD/KOC (pH 5.5): 21563.48; (8)ACD/KOC (pH 7.4): 21563.48; (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: 1.66; (14)Molar Refractivity: 52.19 cm³; (15)Molar Volume: 141.2 cm³; (16)Polarizability: 20.69×10^-24cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.293 g/cm³; (19)Flash Point: 163.1 °C; (20)Enthalpy of Vaporization: 49.84 kJ/mol; (21)Boiling Point: 280.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00641 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2cccc1c2scc1C
(2)InChI: InChI=1/C9H7ClS/c1-6-5-11-9-7(6)3-2-4-8(9)10/h2-5H,1H3
(3)InChIKey: PIURQZBTTSWWOY-UHFFFAOYAZ

Product Name

7-CHLORO-3-METHYL BENZO[B]THIOPHENE

7-Chloro-3-methyl benzo[b]thiophene Specification

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