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  • Ethanone,2,2-dichloro-1-(4-phenoxyphenyl)
Name:Ethanone,2,2-dichloro-1-(4-phenoxyphenyl)
CAS No:59867-68-4

PRODUCT DESCRIPTION

【Name】
Ethanone,2,2-dichloro-1-(4-phenoxyphenyl)-
【Iupac name】
2,2-dichloro-1-(4-phenoxyphenyl)ethanone
【CAS Registry number】
59867-68-4
【Synonyms】
Acetophenone,2,2-dichloro-4'-phenoxy- (7CI)
2,2-Dichloro-4-phenoxyacetophenone
4'-Phenoxy-2,2-dichloroacetophenone
Sandoray 1000
a,a-Dichloro-4-phenoxyacetophenone
【EINECS(EC#)】
261-966-9
【Molecular Formula】
C14H10Cl2O2 (Products with the same molecular formula)
【Molecular Weight】
281.13
【Inchi】
InChI=1/C14H10Cl2O2/c15-9-14(17)12-7-6-11(8-13(12)16)18-10-4-2-1-3-5-10/h1-8H,9H2
【Canonical SMILES】
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C(Cl)Cl
【MOL File】
59867-68-4.mol

Chemical and Physical Properties

【Density】
1.309 g/cm3
【Boiling Point】
389.7 °C at 760 mmHg
【Refractive Index】
1.59
【Flash Point】
389.7 °C at 760 mmHg
【Computed Properties】
Molecular Weight:281.134 [g/mol]
Molecular Formula:C14H10Cl2O2
XLogP3-AA:4.5
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:280.005785
MonoIsotopic Mass:280.005785
Topological Polar Surface Area:26.3
Heavy Atom Count:18
Formal Charge:0
Complexity:267
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:59

Safety and Handling

【Specification】

The 4-Phenoxy-2',2'-dichloroacetophenone, its cas register number is 59867-68-4. It also can be called as  2,2-Dichloro-1-(4-phenoxyphenyl)ethan-1-one  and the IUPAC name about this chemicals is 2,2-Dichloro-1-(4-phenoxyphenyl)ethanone. It belongs to the following product categories, such as Organics. 67775-25-1 is a other registry number about this chemical.

Following are the chemical properties about 4-Phenoxy-2',2'-dichloroacetophenone: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 26.3Å2; (5)Index of Refraction: 1.589; (6)Molar Refractivity: 72.38 cm3; (7)Molar Volume: 214.6 cm3; (8)Polarizability: 28.69x10-24cm3; (9)Surface Tension: 45.5 dyne/cm; (10)Enthalpy of Vaporization: 63.9 kJ/mol; (11)Vapour Pressure: 2.8E-06 mmHg at 25°C

This chemical can be described computed from structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C(Cl)Cl
(2)InChI: InChI=1S/C14H10Cl2O2/c15-14(16)13(17)10-6-8-12(9-7-10)18-11-4-2-1-3-5-11/h1-9,14H
(3)InChIKey: JHGGYGMFCRSWIZ-UHFFFAOYSA-N

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