ethyl 2-chloro-2,2-...

ethyl 2-chloro-2,2-diphenylacetate 52460-86-3

ethyl 2-chloro-2,2-diphenylacetate 52460-86-3

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Keywords

Benzeneacetic acid, a-chloro-a-phenyl-, ethyl ester ethyl 2-chloro-2,2-diphenylacetate 52460-86-3

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  • Appearance:Liquid
  • Application:Organic Chemicals
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  • ProductionCapacity:10|Kilogram|Month
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Details:

Identification and Related Records
【Name】
Benzeneacetic acid, a-chloro-a-phenyl-, ethyl ester
【CAS Registry number】
52460-86-3
【Synonyms】
Aceticacid, chlorodiphenyl-, ethyl ester (7CI)
Ethyl a-chlorodiphenylacetate
NSC 46861
【EINECS(EC#)】
406-580-5
【Molecular Formula】
C16H15 Cl O2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C16H15ClO2/c1-2-19-15(18)16(17,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
【Canonical SMILES】
CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)Cl
【MOL File】
52460-86-3.mol
Chemical and Physical Properties
【Density】
1.173g/cm3
【Boiling Point】
371.1°Cat760mmHg
【Refractive Index】
1.559
【Flash Point】
186.3°C
【Computed Properties】
Molecular Weight:274.7421 [g/mol]
Molecular Formula:C16H15ClO2
XLogP3-AA:4.3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:5
Exact Mass:274.076057
MonoIsotopic Mass:274.076057
Topological Polar Surface Area:26.3
Heavy Atom Count:19
Formal Charge:0
Complexity:273
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:1
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:14
Safety and Handling
【Hazard Codes】
Xi
【Risk Statements】
38-52/53
【Safety Statements 】
37-61
【HazardClass】
IRRITANT

 

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