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| CAS No.: | 1459-00-3 |
|---|---|
| Name: | 1-Bromo-2-phenylpropane |
| Article Data: | 36 |
| Molecular Structure: | |
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| Formula: | C9H11Br |
| Molecular Weight: | 199.09 |
| Synonyms: | (2-Bromo-1-methylethyl)benzene;2-Methyl-2-phenylethylbromide;2-Phenylpropyl bromide;NSC 43688;b-Bromoisopropylbenzene;Cumene, b-bromo- (6CI,7CI,8CI); |
| EINECS: | 215-948-2 |
| Density: | 1.304 g/cm3 |
| Melting Point: | -59.3°C |
| Boiling Point: | 188.499 °C at 760 mmHg |
| Flash Point: | 85.92 °C |
| Hazard Symbols: | R36/38:Irritating to eyes and skin.; |
| Risk Codes: | 36/38 |
| Safety: | 26-36 |
| PSA: | 0.00000 |
| LogP: | 3.18500 |
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- Total:35 Page 1 of 1 1
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Specification
This chemical is called Benzene, (2-bromo-1-methylethyl)-, and its systematic name is (2-bromo-1-methyl-ethyl)benzene. With the CAS registry number of 1459-00-3, its product categories are Bromine Compounds. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Benzene, (2-bromo-1-methylethyl)- can be summarised as followings: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44 ; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Index of Refraction: 1.543; (9)Molar Refractivity: 48.16 cm3; (10)Molar Volume: 152.6 cm3; (11)Polarizability: 19.09×10-24cm3; (12)Surface Tension: 36.1 dyne/cm; (13)Density: 1.303 g/cm3; (14)Flash Point: 85.9 °C; (15)Enthalpy of Vaporization: 40.73 kJ/mol; (16)Boiling Point: 188.5 °C at 760 mmHg; (17)Vapour Pressure: 0.825 mmHg at 25°C.
Production method of this chemical: The Benzene, (2-bromo-1-methylethyl)- could be obtained by the reactants of 3-bromo-propene and benzene. This reaction needs the reagent of sulfuric acid.
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Uses of this chemical: The Benzene, (2-bromo-1-methylethyl)- could react with diphenyl-diselane, and obtain the 1-Phenylseleno-2-phenylpropane. This reaction needs the reagent of NaBH4, and the solvent of ethanol. The yield is 85 %. In addition, this reaction should be taken for 2 hours at the ambient temperature.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: BrCC(C)c1ccccc1
2.InChI: InChI=1/C9H11Br/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
3.InChIKey: XJWVCWQKZQENDS-UHFFFAOYAP