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120081-47-2

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Basic Information
CAS No.: 120081-47-2
Name: 1-benzothiophene-7-carbonyl chloride
Article Data: 4
Molecular Structure:
Molecular Structure of 120081-47-2 (1-benzothiophene-7-carbonyl chloride)
Formula: C9H5ClOS
Molecular Weight: 196.657
Synonyms: Benzothiophene-7-carbonylchloride;
Density: 1.41 g/cm3
Melting Point: 84 °C
Boiling Point: 309.5 °C at 760 mmHg
Flash Point: 141 °C
Hazard Symbols: CorrosiveC
Risk Codes:  C:Corrosive;
">  C:Corrosive;
PSA: 45.31000
LogP: 3.28030
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Specification

The Benzo[b]thiophene-7-carbonylchloride, with the CAS registry number of 120081-47-2, is also known as Benzothiophene-7-carbonylchloride. It belongs to the product category of Acidhalide. This chemical's molecular formula is C9H5ClOS and molecular weight is 196.6534. What's more, its systematic name is called 1-Benzothiophene-7-carbonyl chloride. This chemical may destroy living tissue on contact.

Physical properties about Benzo[b]thiophene-7-carbonylchloride are: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.37; (4)ACD/LogD (pH 7.4): 4.37; (5)ACD/BCF (pH 5.5): 1236.25; (6)ACD/BCF (pH 7.4): 1236.25; (7)ACD/KOC (pH 5.5): 5687.61; (8)ACD/KOC (pH 7.4): 5687.61; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 52.72 cm3; (15)Molar Volume: 139.4 cm3; (16)Surface Tension: 54 dyne/cm; (17)Density: 1.41 g/cm3; (18)Flash Point: 141 °C; (19)Enthalpy of Vaporization: 55.03 kJ/mol; (20)Boiling Point: 309.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000636 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)c1cccc2ccsc12
(2) InChI: InChI=1/C9H5ClOS/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H
(3) InChIKey: JILFWFGWWHGBHQ-UHFFFAOYAA