5-Chloro-1-benzothiophene-2-carbonitrile supplier

Name
5-Chloro-1-benzothiophene-2-carbonitrile
EINECS
CAS No. 23622-24-4
Density 1.42 g/cm³
Solubility
Melting Point
Formula C₉H₄ClNS
Boiling Point 347.9 °C at 760 mmHg
Molecular Weight 193.66
Flash Point 164.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chlorobenzothiophene-2-carbonitrile;
PSA 52.03000
LogP 3.42638

5-Chloro-1-benzothiophene-2-carbonitrile Specification

The CAS registry number of 5-Chloro-1-benzothiophene-2-carbonitrile is 23622-24-4. The IUPAC name is 5-Chlorobenzothiophene-2-carbonitrile. In addition, the formula is C₉H₄ClNS and the molecular weight is 193.66.

Physical properties about this chemical are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 4.41; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 52.03 Å²; (9)Index of Refraction: 1.69; (10)Molar Refractivity: 51.84 cm³; (11)Molar Volume: 135.5 cm³; (12)Polarizability: 20.55 ×10^-24cm³; (13)Surface Tension: 61.7 dyne/cm; (14)Density: 1.42 g/cm³; (15)Flash Point: 164.2 °C; (16)Enthalpy of Vaporization: 59.22 kJ/mol; (17)Boiling Point: 347.9 °C at 760 mmHg; (18)Vapour Pressure: 5.23E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)cc(s2)C#N
(2)InChI: InChI=1/C9H4ClNS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H
(3)InChIKey: LEIZUMNQYDLPMJ-UHFFFAOYAI

Product Name

5-Chloro-1-benzothiophene-2-carbonitrile

5-Chloro-1-benzothiophene-2-carbonitrile Specification

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