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

Name
5-CHLOROTHIANAPHTHENE-3-ACETONITRILE
EINECS
CAS No. 23799-60-2
Article Data2
CAS DataBase
Density 1.373 g/cm³
Solubility
Melting Point 133 °C
Formula C₁₀H₆ClNS
Boiling Point 373.5 °C at 760 mmHg
Molecular Weight 207.683
Flash Point 179.7 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 5-Chlorothianaphthene-3-acetonitrile;
PSA 52.03000
LogP 3.62078

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

The Benzo[b]thiophene-3-acetonitrile,5-chloro-, with the CAS registry number 23799-60-2, is also known as 5-Chlorothianaphthene-3-acetonitrile. This chemical's molecular formula is C₁₀H₆ClNS and molecular weight is 207.6793. What's more, its systematic name is called (5-Chloro-1-benzothiophen-3-yl)acetonitrile.

Physical properties about Benzo[b]thiophene-3-acetonitrile,5-chloro- are: (1)ACD/LogP: 4.21; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.21; (4)ACD/LogD (pH 7.4): 4.21; (5)ACD/BCF (pH 5.5): 925.52; (6)ACD/BCF (pH 7.4): 925.52; (7)ACD/KOC (pH 5.5): 4623.15; (8)ACD/KOC (pH 7.4): 4623.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.03 Å²; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 56.83 cm³; (15)Molar Volume: 151.1 cm³; (16)Polarizability: 22.53×10^-24cm³; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.373 g/cm³; (19)Flash Point: 179.7 °C; (20)Enthalpy of Vaporization: 62.08 kJ/mol; (21)Boiling Point: 373.5 °C at 760 mmHg; (22)Vapour Pressure: 8.89E-06 mmHg at 25 °C; (23)Melting Point: 133 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful if swallowed. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2cc1c(scc1CC#N)cc2
(2) InChI: InChI=1/C10H6ClNS/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6H,3H2
(3) InChIKey: JTPXNKOVUOJIKL-UHFFFAOYAZ

Product Name

5-CHLOROTHIANAPHTHENE-3-ACETONITRILE

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

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