Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

(S)-4-Bromo-alpha-methylbenzyl alcohol

Related Products

Hot Products

Name

(S)-4-Bromo-alpha-methylbenzyl alcohol

EINECS 226-389-9
CAS No. 100760-04-1 Density 1.47 g/cm3
PSA 20.23000 LogP 2.50240
Solubility N/A Melting Point N/A
Formula C8H9BrO Boiling Point 253.3 °C at 760 mmHg
Molecular Weight 201.063 Flash Point 63.3 °C
Transport Information N/A Appearance clear colorless liquid
Safety 36/37/39-26 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 100760-04-1 ((S)-4-Bromo-alpha-methylbenzyl alcohol) Hazard Symbols HarmfulXn
Synonyms

Benzenemethanol,4-bromo-a-methyl-, (S)-;(-)-1-(4-Bromophenyl)ethanol;(-)-1-(p-Bromophenyl)ethanol;(S)-1-(4-Bromophenyl)ethanol;(S)-1-p-Bromophenylethanol;(aS)-4-Bromo-a-methylbenzenemethanol;

Article Data 413

(S)-4-Bromo-alpha-methylbenzyl alcohol Specification

The systematic name of (S)-4-Bromo-alpha-methylbenzyl alcohol is (1S)-1-(4-bromophenyl)ethanol. With the CAS registry number 100760-04-1, it is also named as benzenemethanol, 4-bromo-a-methyl-, (aS)-. The product's categories are Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds; API Intermediates. It is clear colorless liquid which should be sealed in the container and stored in the cool and dry place.

The other characteristics of (S)-4-Bromo-alpha-methylbenzyl alcohol can be summarized as: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.52; (6)ACD/BCF (pH 7.4): 25.52; (7)ACD/KOC (pH 5.5): 353.68; (8)ACD/KOC (pH 7.4): 353.68; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 45.03 cm3; (15)Molar Volume: 136.6 cm3; (16)Polarizability: 17.85×10-24 cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 63.3 °C; (20)Enthalpy of Vaporization: 51.85 kJ/mol; (21)Boiling Point: 253.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00956 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1ccc(cc1)[C@@H](O)C
2. InChI:InChI=1/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1
3. InChIKey:XTDTYSBVMBQIBT-LURJTMIEBD
4. Std. InChI:InChI=1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1 
5. Std. InChIKey:XTDTYSBVMBQIBT-LURJTMIESA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 100760-04-1