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Benzo[b]thiophene-2-carboxamide,3-chloro-

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Name

Benzo[b]thiophene-2-carboxamide,3-chloro-

EINECS -0
CAS No. 21211-09-6 Density 1.473 g/cm3
PSA 71.33000 LogP 3.35390
Solubility N/A Melting Point 234-236 °C
Formula C9H6ClNOS Boiling Point 392.7 °C at 760 mmHg
Molecular Weight 211.672 Flash Point 191.3 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 21211-09-6 (3-CHLOROBENZO[B]THIOPHENE-2-CARBOXAMIDE) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

3-Chloro-2-thianaphthenecarboxamide;

Article Data 1

Benzo[b]thiophene-2-carboxamide,3-chloro- Specification

The Benzo[b]thiophene-2-carboxamide,3-chloro-, with the CAS registry number 21211-09-6, is also known as 3-Chloro-2-thianaphthenecarboxamide. This chemical's molecular formula is C9H6ClNOS and molecular weight is 211.668. What's more, its systematic name is called 3-Chloro-1-benzothiophene-2-carboxamide.

Physical properties about Benzo[b]thiophene-2-carboxamide,3-chloro- are: (1)ACD/LogP: 3.09; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 131.88; (6)ACD/BCF (pH 7.4): 131.88; (7)ACD/KOC (pH 5.5): 1146.1; (8)ACD/KOC (pH 7.4): 1146.1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.55 Å2; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 56.3 cm3; (15)Molar Volume: 143.6 cm3; (16)Polarizability: 22.32×10-24 cm3 ; (17)Surface Tension: 62.8 dyne/cm; (18)Density: 1.473 g/cm3; (19)Flash Point: 191.3 °C; (20)Enthalpy of Vaporization: 64.25 kJ/mol; (21)Boiling Point: 392.7 °C at 760 mmHg; (22)Vapour Pressure: 2.25E-06 mmHg at 25 °C; (23)Melting Point: 234-236 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. And in case of contact 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: Clc1c2ccccc2sc1C(=O)N
(2) InChI: InChI=1/C9H6ClNOS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H2,11,12)
(3) InChIKey: XAELQWGFCUUJNM-UHFFFAOYAQ

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