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Cas Database |
| Name |
Benzene,(2-bromoethynyl)- |
EINECS | N/A |
| CAS No. | 932-87-6 | Density | 1.51 g/cm3 |
| PSA | 0.00000 | LogP | 2.39050 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H5Br | Boiling Point | 217.4 °C at 760 mmHg |
| Molecular Weight | 181.032 | Flash Point | 86 °C |
| Transport Information | N/A | Appearance | N/A |
| 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; |
Article Data | 160 |
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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