Benzo[b]thiophene-3-methanol,5-chloro- supplier

Name
(5-CHLORO-1-BENZOTHIOPHEN-3-YL)METHANOL
EINECS
CAS No. 306934-93-0
Density 1.431 g/cm³
Solubility
Melting Point
Formula C₉H₇ClOS
Boiling Point 358.6 °C at 760 mmHg
Molecular Weight 198.67
Flash Point 170.6 °C
Transport Information
Appearance
Safety 26-37/39
Risk Codes 22-36-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms (5-Chlorobenzo[b]thien-3-yl)methanol;benzo[b]thiophene-3-methanol, 5-chloro-;
PSA 48.47000
LogP 3.04700

Benzo[b]thiophene-3-methanol,5-chloro- Specification

The Benzo[b]thiophene-3-methanol,5-chloro-, with the CAS registry number 306934-93-0, has the systematic name of (5-chloro-1-benzothiophen-3-yl)methanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₇ClOS.

The characteristics of Benzo[b]thiophene-3-methanol,5-chloro- are as followings: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 448.17; (6)ACD/BCF (pH 7.4): 448.17; (7)ACD/KOC (pH 5.5): 2751.08; (8)ACD/KOC (pH 7.4): 2751.08; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.47 Å²; (13)Index of Refraction: 1.703; (14)Molar Refractivity: 53.82 cm³; (15)Molar Volume: 138.7 cm³; (16)Polarizability: 21.33×10^-24cm³; (17)Surface Tension: 58.3 dyne/cm; (18)Density: 1.431 g/cm³; (19)Flash Point: 170.6 °C; (20)Enthalpy of Vaporization: 63.74 kJ/mol; (21)Boiling Point: 358.6 °C at 760 mmHg; (22)Vapour Pressure: 9.15E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2cc1c(scc1CO)cc2
(2)InChI: InChI=1/C9H7ClOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,11H,4H2
(3)InChIKey: PUSCUZZEDIEHOQ-UHFFFAOYAI

Product Name

(5-CHLORO-1-BENZOTHIOPHEN-3-YL)METHANOL

Benzo[b]thiophene-3-methanol,5-chloro- Specification

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