Ethanone,1-benzo[b]thien-5-yl-2-bromo- supplier

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

Ethanone,1-benzo[b]thien-5-yl-2-bromo- 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

Product Name

1-(1-BENZOTHIOPHEN-5-YL)-2-BROMO-1-ETHANONE

Ethanone,1-benzo[b]thien-5-yl-2-bromo- Specification

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