(S)-1-(2-Bromophenyl)ethanol

The Benzenemethanol,2-bromo-a-methyl-, (aS)-, with its CAS registry number 114446-55-8, has the IUPAC name of (1S)-1-(2-bromophenyl)ethanol. For being a kind of off-white to light yellow crystalline powder, it has the molecular formula of C₈H₉BrO and the molecular weight of 201.06. And it belongs to the product categories which include Chiral; Chiral Reagent; Alcohols; Chiral Building Blocks; Organic Building Blocks. When store it, you should keep it in the cool, dry and well-ventilated place, and this chemical will not decompose if follow the using and storage specifications.

The characteristics of Benzenemethanol,2-bromo-a-methyl-, (aS)- are as follows: (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; (7)Index of Refraction: 1.572; (8)Molar Refractivity: 45.03 cm³; (9)Molar Volume: 136.6 cm³; (10)Polarizability: 17.85×10^-24 cm³; (11)Surface Tension: 42.8 dyne/cm; (12)Density: 1.47 g/cm³; (13)Flash Point: 113.3 °C; (14)Enthalpy of Vaporization: 50.77 kJ/mol; (15)Boiling Point: 243.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0172 mmHg at 25°C; (17)Exact Mass: 199.983678; (18)MonoIsotopic Mass: 199.983678; (19)Topological Polar Surface Area: 20.2; (20)Heavy Atom Count: 10; (21)Complexity: 105; (22)Defined Atom StereoCenter Count: 1; (23)Covalently-Bonded Unit Count: 1; (24)Feature 3D Acceptor Count: 1; (25)Feature 3D Donor Count: 1; (26)Feature 3D Hydrophobe Count: 1; (27)Feature 3D Ring Count: 1.

When you are dealing with this chemical, you should be cautious. For being irritating to eyes, respiratory system and skin, this chemical may cause inflammation to the skin or other mucous membranes. And if by inhalation, in contact with skin or swallowed, it will be harmful. Therefore, you should wear suitable protective clothing, gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CC(C1=CC=CC=C1Br)O
(2)Isomeric SMILES: C[C@@H](C1=CC=CC=C1Br)O
(3)InChI: InChI=1S/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1
(4)InChIKey: DZLZSFZSPIUINR-LURJTMIESA-N