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CAS No.: | 120081-47-2 |
---|---|
Name: | 1-benzothiophene-7-carbonyl chloride |
Article Data: | 4 |
Molecular Structure: | |
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: | C |
Risk Codes: | C:Corrosive; "> C:Corrosive; |
PSA: | 45.31000 |
LogP: | 3.28030 |
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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