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3,3,3-Trifluoropropyne 98%

CAT: 0286-T24000Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-T24000Size:5 g
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CAS Number
661-54-1
UN Code
UN3161
Pictogram
02 - Flammable; 04 - Compressed Gas; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00041552
Hazard Statement
H220 Extremely flammable gas; H280 Contains gas under pressure; may explode if heated; 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
Liquefied Gas, Flammable, N.O.S.
DOT Classification
Class 2.1
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; P377 Leaking gas fire: Do not extinguish, unless leak can be stopped safely; P381 Eliminate all ignition sources if safe to do so; P410+P403 Protect from sunlight. Store in a well-ventilated place.

Chemical Information

3,3,3-Trifluoropropyne
CAS Number661-54-1
PubChem CID69578
IUPAC Name3,3,3-trifluoroprop-1-yne
Molecular FormulaC3HF3
Molecular Weight94.03
XLogP1.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity79
SMILES
C#CC(F)(F)F
InChI
InChI=1S/C3HF3/c1-2-3(4,5)6/h1H
InChIKey
PRDFNJUWGIQQBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3,3-Trifluoropropyne
CAS: 661-54-1
CID: 69578
Formula: C3HF3
MW: 94.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight94.03
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass94.00303452
Monoisotopic Mass94.00303452
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity79.9
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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Alternative Products

CatalogName
290533-013,3,3-Trifluoropropyne
PC68253,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
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sc-2611283,3,3-Trifluoropropionaldehyde
sc-2611323,3,3-Trifluoropropylamine
sc-347308A3,3,3-trifluoropropanehydrazide
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