Basic information
- Name:
Benzenemethanol,2-chloro-a-methyl-, (aS)-
- Superlist Name:
- (S)-1-(2-Chlorophenyl)ethanol
- CAS No.:
131864-71-6
- Molecular Structure:
- Formula:
- C8H9ClO
- Molecular Weight:
- 156.61
- Synonyms:
- Benzenemethanol,2-chloro-a-methyl-, (S)-;(-)-1-(o-Chlorophenyl)ethanol;(1S)-1-(2-Chlorophenyl)ethanol;(S)-1-(2-Chlorophenyl)ethanol;(S)-2-Chloro-a-methylbenzyl alcohol;1-(2-Chlorophenyl)Ethanol;Benzenemethanol, 2-chloro-α-methyl-;Benzyl alcohol, o-chloro-α-methyl-;o-Chlorophenylmethylcarbinol;1-(2-Chlorophenyl)-1-ethanol;
- Density:
- 1.182 g/cm3
- Boiling Point:
- 231.417 °C at 760 mmHg
- Flash Point:
- 93.758 °C
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Specification
The Benzenemethanol,2-chloro-a-methyl-, (aS)- with CAS registry number of 131864-71-6 is also known as Benzenemethanol, 2-chloro-α-methyl-. The systematic name is 1-(2-Chlorophenyl)ethanol. It belongs to product categories of Chiral; Chiral Reagent. In addition, the formula is C8H9ClO and the molecular weight is 156.61.
Physical properties about Benzenemethanol,2-chloro-a-methyl-, (aS)- are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 18.73; (6)ACD/BCF (pH 7.4): 18.73; (7)ACD/KOC (pH 5.5): 283.47; (8)ACD/KOC (pH 7.4): 283.47; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 42.23 cm3; (15)Molar Volume: 132.4 cm3; (16)Polarizability: 16.74×10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.182 g/cm3; (19)Flash Point: 93.8 °C; (20)Enthalpy of Vaporization: 49.47 kJ/mol; (21)Boiling Point: 231.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0348 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: Clc1ccccc1C(O)C
2. InChI: InChI=1/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3
3. InChIKey: DDUBOVLGCYUYFX-UHFFFAOYAQ
4. Std. InChI: InChI=1S/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3
5. Std. InChIKey: DDUBOVLGCYUYFX-UHFFFAOYSA-N
