(2S)-2-(3-Chlorophenyl)oxirane supplier

Name
(S)-3-CHLOROSTYRENE OXIDE
EINECS
CAS No. 97466-49-4
Article Data107
CAS DataBase
Density 1.284 g/cm³
Solubility
Melting Point
Formula C₈H₇ClO
Boiling Point 229.409 °C at 760 mmHg
Molecular Weight 154.596
Flash Point 97.59 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Oxirane,(4-chlorophenyl)-, (2S)- (9CI);Oxirane, (4-chlorophenyl)-, (S)-;(+)-4'-Chlorostyrene oxide;
PSA 12.53000
LogP 2.41130

(2S)-2-(3-Chlorophenyl)oxirane Specification

The Oxirane,2-(4-chlorophenyl)-, (2S)- is an organic compound with the formula C₈H₇ClO. The systematic name of this chemical is 2-(4-chlorophenyl)oxirane. With the CAS registry number 97466-49-4, it is also named as Benzene, 1-chloro-4-(epoxyethyl)-. The product's category is Chiral Reagent.

The other characteristics of Oxirane,2-(4-chlorophenyl)-, (2S)- can be summarized as: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 12.53 Å²; (7)Index of Refraction: 1.581; (8)Molar Refractivity: 40.16 cm³; (9)Molar Volume: 120.4 cm³; (10)Polarizability: 15.92×10^-24 cm³; (11)Surface Tension: 46.2 dyne/cm; (12)Density: 1.283 g/cm³; (13)Flash Point: 98.1 °C; (14)Enthalpy of Vaporization: 44.81 kJ/mol; (15)Boiling Point: 230.4 °C at 760 mmHg; (16)Vapour Pressure: 0.0998 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc1ccc(cc1)C2OC2
2. InChI:InChI=1/C8H7ClO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2
3. InChIKey:IBWLXNDOMYKTAD-UHFFFAOYAE
4. Std. InChI:InChI=1S/C8H7ClO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2
5. Std. InChIKey:IBWLXNDOMYKTAD-UHFFFAOYSA-N

Product Name

(S)-3-CHLOROSTYRENE OXIDE

(2S)-2-(3-Chlorophenyl)oxirane Specification

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