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  • Ethanone,1-(3-fluorophenyl)
Name:Ethanone,1-(3-fluorophenyl)
CAS No:455-36-7

PRODUCT DESCRIPTION

【Name】
Ethanone,1-(3-fluorophenyl)-
【Iupac name】
1-(3-fluorophenyl)ethanone
【CAS Registry number】
455-36-7
【Synonyms】
Acetophenone,3'-fluoro- (6CI,7CI,8CI)
1-(3-Fluorophenyl)ethanone
1-Acetyl-3-fluorobenzene
3-Acetyl-1-fluorobenzene
3-Fluorophenyl methyl ketone
3'-Fluoroacetophenone
NSC 88301
m-Fluoroacetophenone
m-Fluorophenyl methyl ketone
【EINECS(EC#)】
207-245-4
【Molecular Formula】
C8H7FO (Products with the same molecular formula)
【Molecular Weight】
138.14
【Inchi】
InChI=1/C8H7FO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
【InChIKey】
HCEKGPAHZCYRBZ-UHFFFAOYSA-N
【Canonical SMILES】
CC(=O)C1=CC(=CC=C1)F
【MOL File】
455-36-7.mol

Chemical and Physical Properties

【Appearance】
Clear colorless to light yellow liquid.
【Density】
1.126
【Melting Point】
-3°C
【Boiling Point】
81℃ (9 mmHg)
【Vapour】
0.27mmHg at 25°C
【Refractive Index】
1.508-1.51
【Flash Point】
80℃
【Solubilities】
Slightly soluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【Storage temp】
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:138.138983 [g/mol]
Molecular Formula:C8H7FO
XLogP3:1.8
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:138.048093
MonoIsotopic Mass:138.048093
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Formal Charge:0
Complexity:133
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】
R36/37/38
【Safety Statements 】
S26;S36
【HazardClass】
IRRITANT
【Hazard Note】
Irritant
【Safety】
Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36-36/37/39-27
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
27:Take off immediately all contaminated clothing
WGK Germany:3
HazardClass:IRRITANT
Hazard Note:Irritant
【Transport】
UN 2810 6.1/PG 3
【Specification】

clear colourless to yellow liquid
Safety Statements:26-36-36/37/39-27
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
27:Take off immediately all contaminated clothing

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