Ethanone,2-bromo-1-(5-phenyl-2-thienyl)- supplier

Name
2-BROMO-1-(5-PHENYL-2-THIENYL)-1-ETHANONE
EINECS
CAS No. 10531-43-8
Article Data3
CAS DataBase
Density 1.488 g/cm³
Solubility
Melting Point 115 °C
Formula C₁₂H₉BrOS
Boiling Point 407.1 °C at 760 mmHg
Molecular Weight 281.173
Flash Point 200 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Ketone,bromomethyl 5-phenyl-2-thienyl (7CI,8CI);2-Bromo-1-(5-phenyl-2-thienyl)-1-ethanone;2-(Bromoacetyl)-5-phenylthiophene;
PSA 45.31000
LogP 3.99270

Ethanone,2-bromo-1-(5-phenyl-2-thienyl)- Specification

The Ethanone,2-bromo-1-(5-phenyl-2-thienyl)-, with the CAS registry number 10531-43-8, is also known as 2-(Bromoacetyl)-5-phenylthiophene. This chemical's molecular formula is C₁₂H₉BrOS and molecular weight is 281.17. What's more, its systematic name is 2-bromo-1-(5-phenylthiophen-2-yl)ethanone.

Physical properties of Ethanone,2-bromo-1-(5-phenyl-2-thienyl)- are: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)ACD/BCF (pH 5.5): 578.53; (6)ACD/BCF (pH 7.4): 578.53; (7)ACD/KOC (pH 5.5): 3302.74; (8)ACD/KOC (pH 7.4): 3302.74; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.31 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 66.98 cm³; (15)Molar Volume: 188.9 cm³; (16)Polarizability: 26.55×10^-24cm³; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.488 g/cm³; (19)Flash Point: 200 °C; (20)Enthalpy of Vaporization: 65.9 kJ/mol; (21)Boiling Point: 407.1 °C at 760 mmHg; (22)Vapour Pressure: 7.72E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2sc(c1ccccc1)cc2)CBr
(2)InChI: InChI=1S/C12H9BrOS/c13-8-10(14)12-7-6-11(15-12)9-4-2-1-3-5-9/h1-7H,8H2
(3)InChIKey: BOIAFAJKOBVLGS-UHFFFAOYSA-N

Product Name

2-BROMO-1-(5-PHENYL-2-THIENYL)-1-ETHANONE

Ethanone,2-bromo-1-(5-phenyl-2-thienyl)- Specification

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