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Basic Information
CAS No.: 1131-87-9
Name: 1-(1-BENZOTHIOPHEN-5-YL)-2-BROMO-1-ETHANONE
Molecular Structure:
Molecular Structure of 1131-87-9 (1-(1-BENZOTHIOPHEN-5-YL)-2-BROMO-1-ETHANONE)
Formula: C10H7BrOS
Molecular Weight: 255.135
Synonyms: Ketone,benzo[b]thien-5-yl bromomethyl (7CI,8CI);5-(Bromoacetyl)benzo[b]thiophene;
Density: 1.617 g/cm3
Melting Point: 48 °C
Boiling Point: 352 °C at 760 mmHg
Flash Point: 166.7 °C
Hazard Symbols: CorrosiveC
Risk Codes:  C:Corrosive;
">  C:Corrosive;
Safety: 26
PSA: 45.31000
LogP: 3.47890
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Specification

The Ethanone, 1-benzo[b]thien-5-yl-2-bromo-, with the CAS registry number of 1131-87-9, is also known as 1-(Benzo[b]thiophen-5-yl)-2-bromoethan-1-one. This chemical's molecular formula is C10H7BrOS and molecular weight is 255.13. What's more, its systematic name is 1-(1-Benzothiophen-5-yl)-2-bromoethanone. In addition, this chemical may destroy living tissue on contact.

Physical properties about Ethanone, 1-benzo[b]thien-5-yl-2-bromo- are: (1)ACD/LogP: 4.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.35; (4)ACD/LogD (pH 7.4): 4.35; (5)ACD/BCF (pH 5.5): 1195.21; (6)ACD/BCF (pH 7.4): 1195.21; (7)ACD/KOC (pH 5.5): 5551.79; (8)ACD/KOC (pH 7.4): 5551.79; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 60.23 cm3; (15)Molar Volume: 157.7 cm3; (16)Surface Tension: 56 dyne/cm; (17)Density: 1.617 g/cm3; (18)Flash Point: 166.7 °C; (19)Enthalpy of Vaporization: 59.67 kJ/mol; (20)Boiling Point: 352 °C at 760 mmHg; (21)Vapour Pressure: 3.96E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCC(=O)c2cc1c(scc1)cc2
(2) InChI: InChI=1/C10H7BrOS/c11-6-9(12)7-1-2-10-8(5-7)3-4-13-10/h1-5H,6H2
(3) InChIKey: NTQPGUCRHJHYIA-UHFFFAOYAE