-
Name
Phenylbromoethyne
- EINECS
- CAS No. 932-87-6
- Article Data160
- CAS DataBase
- Density 1.51 g/cm3
- Solubility
- Melting Point
- Formula C8H5Br
- Boiling Point 217.4 °C at 760 mmHg
- Molecular Weight 181.032
- Flash Point 86 °C
- Transport Information
- Appearance
- Safety 26-39
- Risk Codes 20-41
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms Benzene,(bromoethynyl)- (6CI,7CI,8CI,9CI);(Bromoethynyl)benzene;1-Bromo-2-phenylacetylene;1-Bromo-2-phenylethyne;1-Phenyl-2-bromoacetylene;2-Bromo-1-phenylacetylene;2-Bromo-1-phenylethyne;2-Bromoethynylbenzene;2-Phenylethynyl bromide;Bromo(phenyl)acetylene;Bromophenylethyne;Phenylacetylene bromide;Phenylbromoacetylene;Phenylethynyl bromide;b-Bromo-a-phenylacetylene;
- PSA 0.00000
- LogP 2.39050
Benzene,(2-bromoethynyl)- Specification
The CAS register number of Benzene,(2-bromoethynyl)- is 932-87-6. It also can be called as 1-Bromo-2-phenylethyne and the IUPAC name about this chemical is 2-bromoethynylbenzene. The molecular formula about this chemical is C8H5Br and the molecular weight is 181.0293.
Physical properties about Benzene,(2-bromoethynyl)- are: (1)ACD/LogP: 4.29; (2)ACD/LogD (pH 5.5): 4.29; (3)ACD/LogD (pH 7.4): 4.29; (4)ACD/BCF (pH 5.5): 1078.15; (5)ACD/BCF (pH 7.4): 1078.15; (6)ACD/KOC (pH 5.5): 5156.93; (7)ACD/KOC (pH 7.4): 5156.93; (8)Index of Refraction: 1.615; (9)Molar Refractivity: 41.74 cm3; (10)Molar Volume: 119.4 cm3; (11)Polarizability: 16.55x10-24cm3; (12)Surface Tension: 47.6 dyne/cm; (13)Density: 1.51 g/cm3; (14)Flash Point: 86 °C; (15)Enthalpy of Vaporization: 43.53 kJ/mol; (16)Boiling Point: 217.4 °C at 760 mmHg; (17)Vapour Pressure: 0.196 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC#Cc1ccccc1
(2)InChI: InChI=1/C8H5Br/c9-7-6-8-4-2-1-3-5-8/h1-5H
(3)InChIKey: BPVHWNVBBDHIQU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H5Br/c9-7-6-8-4-2-1-3-5-8/h1-5H
(5)Std. InChIKey: BPVHWNVBBDHIQU-UHFFFAOYSA-N
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