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O-Fluoroacetophenone 97%

CAT: 0286-F02050-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-F02050-01Size:5 g
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CAS Number
445-27-2
Synonyms
2'-Fluoroacetophenone
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00000320
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

o-Fluoroacetophenone

structure in first source

CAS Number445-27-2
PubChem CID96744
IUPAC Name1-(2-fluorophenyl)ethanone
Molecular FormulaC8H7FO
Molecular Weight138.14
XLogP1.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity133
SMILES
CC(=O)C1=CC=CC=C1F
InChI
InChI=1S/C8H7FO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
InChIKey
QMATYTFXDIWACW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of o-Fluoroacetophenone
CAS: 445-27-2
CID: 96744
Formula: C8H7FO
MW: 138.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight138.14
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass138.048093005
Monoisotopic Mass138.048093005
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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