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O-Trifluoromethylacetophenone 98%

CAT: 0286-T23298-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-T23298-01Size:5 g
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CAS Number
17408-14-9
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00000378
Hazard Statement
H227 Combustible liquid; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

2'-(Trifluoromethyl)acetophenone
CAS Number17408-14-9
PubChem CID87095
IUPAC Name1-[2-(trifluoromethyl)phenyl]ethanone
Molecular FormulaC9H7F3O
Molecular Weight188.15
XLogP2.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity198
SMILES
CC(=O)C1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C9H7F3O/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-5H,1H3
InChIKey
FYDUUODXZQITBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2'-(Trifluoromethyl)acetophenone
CAS: 17408-14-9
CID: 87095
Formula: C9H7F3O
MW: 188.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.15
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass188.04489933
Monoisotopic Mass188.04489933
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity198
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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CatalogName
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