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CAS No.: | 31161-46-3 |
---|---|
Name: | 2-BROMO-5-BENZOYLTHIOPHENE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C11H7BrOS |
Molecular Weight: | 267.146 |
Synonyms: | Ketone,5-bromo-2-thienyl phenyl (8CI);5-Benzoyl-2-bromothiophene;NSC 170817; |
EINECS: | 608-584-4 |
Density: | 1.542 g/cm3 |
Melting Point: | 45-46 °C |
Boiling Point: | 361.7 °C at 760 mmHg |
Flash Point: | 172.6 °C |
Appearance: | Light yellow powder |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 22-26-36/37/39 |
PSA: | 45.31000 |
LogP: | 3.74160 |
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The CAS register number of 2-Bromo-5-benzoylthiophene is 31161-46-3. It also can be called as Methanone,(5-bromo-2-thienyl)phenyl- and the IUPAC name about this chemical is (5-bromothiophen-2-yl)-phenylmethanone. The molecular formula about this chemical is C11H7BrOS and the molecular weight is 267.14.
Physical properties about 2-Bromo-5-benzoylthiophene are: (1)ACD/LogP: 3.91; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 45.31Å2; (5)Index of Refraction: 1.636; (6)Molar Refractivity: 62.12 cm3; (7)Molar Volume: 173.2 cm3; (8)Polarizability: 24.62x10-24cm3; (9)Surface Tension: 49.9 dyne/cm; (10)Flash Point: 172.6 °C; (11)Enthalpy of Vaporization: 60.76 kJ/mol; (12)Boiling Point: 361.7 °C at 760 mmHg; (13)Vapour Pressure: 2.03E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)c2sc(Br)cc2
(2)InChI: InChI=1/C11H7BrOS/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-7H
(3)InChIKey: DHPVOIIUHSEYJY-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H7BrOS/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-7H
(5)Std. InChIKey: DHPVOIIUHSEYJY-UHFFFAOYSA-N