Basic information
- Name:
Oxirane,2-(chloromethyl)-, (2S)-
- Superlist Name:
- (S)-(+)-Epichlorohydrin
- CAS No.:
67843-74-7
- Molecular Structure:
- Formula:
- C3H5ClO
- Molecular Weight:
- 92.52
- Synonyms:
- Oxirane,(chloromethyl)-, (2S)- (9CI);Oxirane, (chloromethyl)-, (S)-;(+)-2-(Chloromethyl)oxirane;(+)-Epichlorohydrin;(S)-(Chloromethyl)oxirane;(S)-1-Chloro-2,3-epoxypropane;(S)-2-Chloromethyloxirane;BRN 1420784;(S)-Epichlorohydrin;2(S)-Epichlorohydrin;
- EINECS:
- 203-439-8
- Density:
- 1.205 g/cm3
- Melting Point:
- 57 °C(lit.)
- Boiling Point:
- 116.1 °C at 760 mmHg
- Flash Point:
- 33.9 °C
- Solubility:
- Insoluble in water
- Appearance:
- Colorless to light yellow liquid
- Hazard Symbols:
T- Risk Codes:
- 45-10-23/24/25-34-43
- Safety Description:
- 53-45 Details
- Transport Information:
- UN 2023 6.1/PG 2
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Specification
The (S)-(+)-Epichlorohydrin with CAS registry number of 67843-74-7 is also known as Oxirane, (chloromethyl)-, (S)-. The IUPAC name is (2S)-2-(Chloromethyl)oxirane. It belongs to product categories of Industrial/Fine Chemicals; Chiral; Chiral Compounds; Chiral Building Blocks; Glycidyl Compounds, etc. (Chiral); Oxiranes; Simple 3-Membered Ring Compounds; Synthetic Organic Chemistry. Its EINECS registry number is 203-439-8. In addition, the formula is C3H5ClO and the molecular weight is 92.52. This chemical is a colorless to light yellow liquid and should be stored in sealed containers away from acid, alkali, metal alloy and oxidizing agents.
Physical properties about (S)-(+)-Epichlorohydrin are: (1)ACD/LogP: 0.45; (2)ACD/LogD (pH 5.5): 0.45; (3)ACD/LogD (pH 7.4): 0.45; (4)ACD/BCF (pH 5.5): 1.29; (5)ACD/BCF (pH 7.4): 1.29; (6)ACD/KOC (pH 5.5): 41.84; (7)ACD/KOC (pH 7.4): 41.84; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.443; (11)Molar Refractivity: 20.37 cm3; (12)Molar Volume: 76.7 cm3; (13)Surface Tension: 35.6 dyne/cm; (14)Density: 1.205 g/cm3; (15)Flash Point: 33.9 °C; (16)Enthalpy of Vaporization: 33.98 kJ/mol; (17)Boiling Point: 116.1 °C at 760 mmHg; (18)Vapour Pressure: 22 mmHg at 25 °C.
Preparation of (S)-(+)-Epichlorohydrin: it is prepared by reaction of (S)-2,3-dichloropropanol. The reaction needs reagent KOH and solvent methanol at ambient temperature. The yield is about 51%.
-(+)-Epichlorohydrin.png)
Uses of (S)-(+)-Epichlorohydrin: it is used to produce (S)-1-chloro-2-heptanol by reaction with butylmagnesium bromide. The reaction occurs with reagent CuBr2*SMe and solvents diethyl ether, tetrahydrofuran at -30 °C for 5 hours. The yield is about 60%.
-(+)-Epichlorohydrin.png)
When you are using this chemical, please be cautious about it. As a chemical, it is toxic by inhalation, in contact with skin and if swallowed. It may cause burns, sensitisation by skin contact and even cancer. Besides, it is flammable. During using it, obtain special instructions before use. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1C(O1)CCl
2. Isomeric SMILES: C1[C@H](O1)CCl
3. InChI: InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1
4. InChIKey: BRLQWZUYTZBJKN-GSVOUGTGSA-N
