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

Name
(5-CHLORO-1-BENZOTHIOPHEN-3-YL)METHYLAMINE
EINECS
CAS No. 71625-90-6
Density 1.363 g/cm³
Solubility
Melting Point
Formula C₉H₈ClNS
Boiling Point 338.8 °C at 760 mmHg
Molecular Weight 197.688
Flash Point 158.7 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 34
Molecular Structure
Hazard Symbols Xi
Synonyms ((5-Chlorobenzothien-3-yl)methyl)amine;3-Aminomethyl-5-chlorobenzothiophene;[(5-Chlorobenzo[b]thiophen-3-yl)methyl]amine;1-(5-chloro-1-benzothiophen-3-yl)methanamine;(5-chloro-1-benzothien-3-yl)methylamine;1-(5-Chloro-1-benzothiophen-3-yl)methanamine;benzo[b]thiophene-3-methanamine, 5-chloro-;
PSA 54.26000
LogP 4.51570

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

The Benzo[b]thiophene-3-methanamine,5-chloro-, with the CAS registry number 71625-90-6, has the systematic name of 1-(5-chloro-1-benzothiophen-3-yl)methanamine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₈ClNS.

The characteristics of Benzo[b]thiophene-3-methanamine,5-chloro- are as followings: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 8.41; (7)ACD/KOC (pH 5.5): 2.95; (8)ACD/KOC (pH 7.4): 50.27; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.48 Å²; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 55.82 cm³; (15)Molar Volume: 144.9 cm³; (16)Polarizability: 22.13×10^-24cm³; (17)Surface Tension: 55.6 dyne/cm; (18)Density: 1.363 g/cm³; (19)Flash Point: 158.7 °C; (20)Enthalpy of Vaporization: 58.22 kJ/mol; (21)Boiling Point: 338.8 °C at 760 mmHg; (22)Vapour Pressure: 9.58E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2cc1c(scc1CN)cc2
(2)InChI: InChI=1/C9H8ClNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H,4,11H2
(3)InChIKey: VRNXLYAXYIHHHH-UHFFFAOYAB

Product Name

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

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

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