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  • Ethanone,1-(2-chloro-6-fluorophenyl)
Name:Ethanone,1-(2-chloro-6-fluorophenyl)
CAS No:87327-69-3

PRODUCT DESCRIPTION

【Name】
Ethanone,1-(2-chloro-6-fluorophenyl)-
【Iupac name】
1-(2-chloro-6-fluorophenyl)ethanone
【CAS Registry number】
87327-69-3
【Synonyms】
1-(2-Chloro-6-fluorophenyl)ethanone
2-Chloro-6-fluoroacetophenone
【Molecular Formula】
C8H6 Cl F O (Products with the same molecular formula)
【Molecular Weight】
172.58
【Inchi】
InChI=1/C8H6ClFO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
【Canonical SMILES】
CC(=O)C1=C(C=CC=C1Cl)F
【MOL File】
87327-69-3.mol

Chemical and Physical Properties

【Density】
1.258 g/cm3
【Boiling Point】
191.8 °C at 760 mmHg
【Refractive Index】
1.511
【Flash Point】
69.8 °C
【Computed Properties】
Molecular Weight:172.584043 [g/mol]
Molecular Formula:C8H6ClFO
XLogP3-AA:2.3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:172.009121
MonoIsotopic Mass:172.009121
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Formal Charge:0
Complexity:160
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:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/38
【Safety Statements 】
S26;S36
【HazardClass】
IRRITANT
【Hazard Note】
Irritant
【Safety】

Hazard Note of 2'-Chloro-6'-fluoroacetophenone (87327-69-3) : Irritant
Hazard Codes: Xi
Risk Statements:
36:  Irritating to the eyes 
37:  Irritating to the respiratory system
38:  Irritating to the skin
Safety Statements: 
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing

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