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2212-07-9

Basic Information
CAS No.: 2212-07-9
Name: 2-[(2,4-DICHLOROPHENOXY)METHYL]OXIRANE
Article Data: 6
Molecular Structure:
Molecular Structure of 2212-07-9 (2-[(2,4-DICHLOROPHENOXY)METHYL]OXIRANE)
Formula: C9H8Cl2O2
Molecular Weight: 219.067
Synonyms: Oxirane,[(2,4-dichlorophenoxy)methyl]- (9CI);Propane,1-(2,4-dichlorophenoxy)-2,3-epoxy- (7CI,8CI);1-(2,4-Dichlorophenoxy)-2,3-epoxypropane;2,4-Dichlorophenoxymethyloxirane;2,4-Dichlorophenyl glycidyl ether;2-[(2,4-Dichlorophenoxy)methyl]oxirane;NSC 634;NSC 71442;
Density: 1.389 g/cm3
Boiling Point: 305.5 °C at 760 mmHg
Flash Point: 124.3 °C
PSA: 21.76000
LogP: 2.77100
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Specification

The Oxirane,2-[(2,4-dichlorophenoxy)methyl]-, with the CAS registry number 2212-07-9, is also known as 2,4-Dichlorophenyl glycidyl ether. This chemical's molecular formula is C9H8Cl2O2 and molecular weight is 219.06. What's more, its systematic name is 2-[(2,4-Dichlorophenoxy)methyl]oxirane.

Physical properties of Oxirane,2-[(2,4-dichlorophenoxy)methyl]- are: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 21.76 Å2; (7)Index of Refraction: 1.567; (8)Molar Refractivity: 51.56 cm3; (9)Molar Volume: 157.6 cm3; (10)Polarizability: 20.44×10-24 cm3; (11)Surface Tension: 47 dyne/cm; (12)Density: 1.389 g/cm3; (13)Flash Point: 124.3 °C; (14)Enthalpy of Vaporization: 52.41 kJ/mol; (15)Boiling Point: 305.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00148 mmHg at 25°C.

Preparation: this chemical can be prepared by chloromethyl-oxirane and 2,4-dichloro-phenol at the temperature of 75-80 °C. This reaction will need reagents n-Bu4NOSO2OCH2CHOHCH3 and K2CO3 with the reaction time of 1.5 hours. The yield is about 85%.

Oxirane,2-[(2,4-dichlorophenoxy)methyl]- can be prepared by chloromethyl-oxirane and 2,4-dichloro-phenol at the temperature of 75-80 °C

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(Cl)c(OCC1OC1)cc2
(2)InChI: InChI=1/C9H8Cl2O2/c10-6-1-2-9(8(11)3-6)13-5-7-4-12-7/h1-3,7H,4-5H2
(3)InChIKey: NTMMJCXPHYKNSP-UHFFFAOYSA-N