Basic information
- Name:
1,2-Ethanediol,1-(2-chlorophenyl)-, (1S)-
- Superlist Name:
- (S)-(+)-1-(2-Chlorophenyl)-1,2-ethanediol
- CAS No.:
133082-13-0
- Molecular Structure:
- Formula:
- C8H9ClO2
- Molecular Weight:
- 172.61
- Synonyms:
- 1,2-Ethanediol,1-(2-chlorophenyl)-, (S)-;(1S)-1-(2-Chlorophenyl)-1,2-ethanediol;(S)-1-(2-Chlorophenyl)-1,2-ethanediol;(1S)-1-(2-Chlorophenyl)Ethane-1,2-Diol;
- Density:
- 1.328g/cm3
- Melting Point:
- 68-75 °C(lit.)
- Boiling Point:
- 322 °C at 760 mmHg
- Flash Point:
- 148.5 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 37/39-26 Details
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Specification
The (S)-(+)-1-(2-Chlorophenyl)-1,2-ethanediol, with CAS registry number 133082-13-0, belongs to the following product categories: (1)Chiral Building Blocks; (2)Organic Building Blocks; (3)Polyols. Its systematic name and its IUPAC name are the same, which is (1S)-1-(2-chlorophenyl)ethane-1,2-diol. And this chemical is a kind of white to beige crystals. What's more, this chemical should be stored in cool, dry place.
Physical properties of (S)-(+)-1-(2-Chlorophenyl)-1,2-ethanediol: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.78; (6)ACD/BCF (pH 7.4): 1.78; (7)ACD/KOC (pH 5.5): 52.52; (8)ACD/KOC (pH 7.4): 52.52; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 43.76 cm3; (15)Molar Volume: 129.9 cm3; (16)Polarizability: 17.35×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Enthalpy of Vaporization: 59.52 kJ/mol; (19)Vapour Pressure: 0.000119 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The (S)-(+)-1-(2-Chlorophenyl)-1,2-ethanediol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1[C@H](O)CO
(2)InChI: InChI=1/C8H9ClO2/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m1/s1
(3)InChIKey: YGOPULMDEZVJGI-MRVPVSSYBQ
(4)Std. InChI: InChI=1S/C8H9ClO2/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m1/s1
(5)Std. InChIKey: YGOPULMDEZVJGI-MRVPVSSYSA-N
