1,1-Difluoropropan-2-one

CAS 431-05-0
C3H4F2O

1,1-Difluoropropan-2-one (CAS 431-05-0) is a chemical compound with molecular formula C3H4F2O and molecular weight 94.06 g/mol . GHS signal word: Danger. Hazard classifications: Flammable, Health Hazard.

What is 1,1-Difluoropropan-2-one?

Molecular Formula
C3H4F2O
Molecular Weight
94.06 g/mol

Structure Identifiers

SMILES
CC(=O)C(F)F
InChI
InChI=1S/C3H4F2O/c1-2(6)3(4)5/h3H,1H3
InChIKey
XHILZHAQBOLGFD-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
94.0230 Da
XLogP
0.80
TPSA
17.1 Ų
H-Bond Donors
0
H-Bond Acceptors
3
Complexity
60
Formal Charge
0

Safety information

Signal Word

Danger

GHS Pictograms

GHS pictogram: Flammable GHS02
GHS pictogram: Health Hazard GHS07

Hazard Statements

  • H225 Highly flammable liquid and vapour

Precautionary Statements

  • P210 Keep away from heat/sparks/open flames/hot surfaces - No smoking
  • P233 Keep container tightly closed
  • P240 Ground/bond container and receiving equipment
  • P241 Use explosion-proof electrical/ventilating/lighting equipment
  • P242 Use only non-sparking tools
  • P243 Take precautionary measures against static discharge
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P271 Use only outdoors or in a well-ventilated area
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with soap and water
  • P303+P361+P353 IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower
  • 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 continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P370+P378 In case of fire: Use appropriate media for extinction
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P403+P235 Store in a well-ventilated place. Keep cool
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (26)

  • AC1257
  • F025165
  • 431-05-0
  • DA-17544
  • SY013768
  • 688-420-6
  • BBL039784
  • SBB021370
  • STK349316
  • CS-0121252
  • ST45092268
  • EN300-92972
  • MFCD02262166
  • AKOS000305789
  • Difluorazeton
  • SCHEMBL805272
  • DTXSID30393018
  • RefChem:409898
  • SCHEMBL9226591
  • SCHEMBL17474451
  • 1,1-difluoroacetone
  • 1,1-Difluoro-2-propanone
  • 1,1-difluoropropan-2-one
  • 1,1-Difluoro-propan-2-one
  • 2-Propanone,1,1-difluoro-
  • 2-Propanone, 1,1-difluoro-

Frequently asked questions

What is the CAS number of 1,1-Difluoropropan-2-one?

The CAS Registry Number for 1,1-Difluoropropan-2-one is 431-05-0.

What is the molecular formula of 1,1-Difluoropropan-2-one?

1,1-Difluoropropan-2-one has the molecular formula C3H4F2O and a molecular weight of 94.06 g/mol.

What is the SMILES notation for 1,1-Difluoropropan-2-one?

The SMILES notation for 1,1-Difluoropropan-2-one is CC(=O)C(F)F.

Is 1,1-Difluoropropan-2-one hazardous?

1,1-Difluoropropan-2-one carries the following GHS hazard classifications: Flammable, Health Hazard. Signal word: Danger.

What are other names for 1,1-Difluoropropan-2-one?

1,1-Difluoropropan-2-one is also known as 1,1-Difluoro-2-propanone, 1,1-Difluoro-propan-2-one, 1,1-difluoroacetone, 1,1-difluoropropan-2-one, 2-Propanone, 1,1-difluoro-.

Data sourced from PubChem CID 3494771. Last updated .

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