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Benzo[b]thiophene-3-carboxylicacid, 5-chloro-

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Name

Benzo[b]thiophene-3-carboxylicacid, 5-chloro-

EINECS N/A
CAS No. 16361-24-3 Density 1.546 g/cm3
PSA 65.54000 LogP 3.25290
Solubility N/A Melting Point 286 °C
Formula C9H5ClO2S Boiling Point 408.6 °C at 760 mmHg
Molecular Weight 212.65 Flash Point 200.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 16361-24-3 (5-CHLORO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID) Hazard Symbols R36/37/38:;
Synonyms

5-Chloro-benzo[b]thiophene-3-carboxylic acid;

 

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

The Benzo[b]thiophene-3-carboxylicacid, 5-chloro-, with the CAS registry number 16361-24-3, is also known as 5-Chloro-benzo[b]thiophene-3-carboxylic acid. This chemical's molecular formula is C9H5ClO2S and molecular weight is 212.65. What's more, its systematic name is called 5-Chloro-1-benzothiophene-3-carboxylic acid.

Physical properties about Benzo[b]thiophene-3-carboxylicacid, 5-chloro- are: (1)ACD/LogP: 4.65; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 14.52; (6)ACD/BCF (pH 7.4): 1.59; (7)ACD/KOC (pH 5.5): 58.11; (8)ACD/KOC (pH 7.4): 6.38; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.719; (14)Molar Refractivity: 54.3 cm3; (15)Molar Volume: 137.5 cm3; (16)Polarizability: 21.52×10-24 cm3; (17)Surface Tension: 66.2 dyne/cm; (18)Density: 1.546 g/cm3; (19)Flash Point: 200.9 °C; (20)Enthalpy of Vaporization: 69.66 kJ/mol; (21)Boiling Point: 408.6 °C at 760 mmHg; (22)Vapour Pressure: 2.08E-07 mmHg at 25 °C; (23)Melting Point: 286 °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, gloves and eye/face protection. 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(scc1C(=O)O)cc2
(2) InChI: InChI=1/C9H5ClO2S/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4H,(H,11,12)
(3) InChIKey: RTBIQTHYQWFIAO-UHFFFAOYAH

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