Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
7-Chloro-3-methyl benzo[b]thiophene |
EINECS | N/A |
CAS No. | 17514-68-0 | Density | 1.293 g/cm3 |
PSA | 28.24000 | LogP | 3.86310 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H7ClS | Boiling Point | 280.5 °C at 760 mmHg |
Molecular Weight | 182.674 | Flash Point | 163.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7-Chloro-3-methylbenzo[b]thiophene;7-chloro-3-methyl-1-benzothiophene;benzo[b]thiophene, 7-chloro-3-methyl-; |
Article Data | 8 |
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