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| CAS No.: | 134615-22-8 |
|---|---|
| Name: | (S)-1-(3-BROMOPHENYL)ETHANOL |
| Article Data: | 187 |
| Molecular Structure: | |
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| Formula: | C8H9BrO |
| Molecular Weight: | 201.063 |
| Synonyms: | Benzenemethanol,3-bromo-a-methyl-, (S)-;(S)-1-(3-Bromophenyl)ethanol;(aS)-3-Bromo-a-methylbenzenemethanol; |
| Density: | 1.47 g/cm3 |
| Boiling Point: | 264.2 °C at 760 mmHg |
| Flash Point: | 113.6 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 36/37/39-26 |
| PSA: | 20.23000 |
| LogP: | 2.50240 |
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Specification
The Benzenemethanol,3-bromo-a-methyl-, (aS)-, with the CAS registry number 134615-22-8, is also known as (S)-3-Bromo-alpha-methylbenzyl alcohol. This chemical's molecular formula is C8H9BrO and molecular weight is 201.06. What's more, both its IUPAC name and systematic name are the same which is called (1S)-1-(3-Bromophenyl)ethanol. It should be kept in a cool and dry place.
Physical properties about Benzenemethanol,3-bromo-a-methyl-, (aS)- are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.572; (8)Molar Refractivity: 45.03 cm3; (9)Molar Volume: 136.6 cm3; (10)Surface Tension: 42.8 dyne/cm; (11)Density: 1.47 g/cm3; (12)Flash Point: 113.6 °C; (13)Enthalpy of Vaporization: 53.04 kJ/mol; (14)Boiling Point: 264.2 °C at 760 mmHg; (15)Vapour Pressure: 0.00495 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. In addition, it is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(ccc1)[C@@H](O)C
(2) InChI: InChI=1S/C8H9BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3/t6-/m0/s1
(3) InChIKey: ULMJQMDYAOJNCC-LURJTMIESA-N