Basic information
- Name:
1,2-Propanediol,3-chloro-, (2S)-
- Superlist Name:
- (S)-(+)-3-Chloro-1,2-propanediol
- CAS No.:
60827-45-4
- Molecular Structure:
- Formula:
- C3H7ClO2
- Molecular Weight:
- 110.54
- Synonyms:
- 1,2-Propanediol,3-chloro-, (S)-;(+)-3-Chloro-1,2-propanediol;(2S)-3-Chloro-1,2-propanediol;(S)-3-Chloro-1,2-propanediol;(S)-Monochlorohydrin;(S)-a-Chlorohydrin;S-(+)-a-Chlorohydrin;
- EINECS:
- 202-492-4
- Density:
- 1.322 g/cm3
- Boiling Point:
- 213 °C at 760 mmHg
- Flash Point:
- 113.3 °C
- Appearance:
- clear yellow to orange-yellow liquid
- Hazard Symbols:
T- Risk Codes:
- 21-25-41-68-62-36/37/38-23/25
- Safety Description:
- 26-28-39-45-36/37/39 Details
- Transport Information:
- UN 2689 6.1/PG 3
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Specification
The 1,2-Propanediol,3-chloro-, (2S)-, with the CAS registry number 60827-45-4, is also known as S-3-Chloro-1,2-propanediol. It belongs to the product categories of Chiral Compounds; Diols; Chiral; API intermediates; Chiral Compound. Its EINECS registry number is 202-492-4. This chemical's molecular formula is C3H7ClO2 and molecular weight is 110.54. Its IUPAC name is called (2S)-3-chloropropane-1,2-diol. This chemical's classification code is Reproductive Effect. In addition, it is clear yellow to orange-yellow liquid. The product should be sealed and stored in cool and dry place. What's more, it can be used for the synthesis of chiral reagents and pharmaceutical intermediates.
Physical properties of 1,2-Propanediol,3-chloro-, (2S)-: (1)ACD/LogP: -0.76; (2)ACD/LogD (pH 5.5): -0.76; (3)ACD/LogD (pH 7.4): -0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.21; (7)ACD/KOC (pH 7.4): 9.21; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.473; (12)Molar Refractivity: 23.82 cm3; (13)Molar Volume: 84.8 cm3; (14)Surface Tension: 45.8 dyne/cm; (15)Density: 1.303 g/cm3; (16)Flash Point: 113.3 °C; (17)Enthalpy of Vaporization: 52.26 kJ/mol; (18)Boiling Point: 213 °C at 760 mmHg; (19)Vapour Pressure: 0.0374 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(CCl)O)O
(2)Isomeric SMILES: C([C@@H](CCl)O)O
(3)InChI: InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m1/s1
(4)InChIKey: SSZWWUDQMAHNAQ-GSVOUGTGSA-N
