1-Diethoxyphosphorylpropan-2-one

CAS 1067-71-6
C7H15O4P

1-Diethoxyphosphorylpropan-2-one (CAS 1067-71-6) is a chemical compound with molecular formula C7H15O4P and molecular weight 194.17 g/mol . GHS signal word: Danger. Hazard classifications: Corrosive, Health Hazard, Hazardous to the Environment.

What is 1-Diethoxyphosphorylpropan-2-one?

Molecular Formula
C7H15O4P
Molecular Weight
194.17 g/mol

Structure Identifiers

SMILES
CCOP(=O)(CC(=O)C)OCC
InChI
InChI=1S/C7H15O4P/c1-4-10-12(9,11-5-2)6-7(3)8/h4-6H2,1-3H3
InChIKey
RSAFKRSMGOSHRK-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
194.0708 Da
XLogP
0.00
TPSA
52.6 Ų
H-Bond Donors
0
H-Bond Acceptors
4
Complexity
180
Formal Charge
0

Safety information

Signal Word

Danger

GHS Pictograms

GHS pictogram: Corrosive GHS05
GHS pictogram: Health Hazard GHS07
GHS pictogram: Hazardous to the Environment GHS09

Hazard Statements

  • H302 Harmful if swallowed

Precautionary Statements

  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P270 Do not eat, drink or smoke when using this product
  • P271 Use only outdoors or in a well-ventilated area
  • P273 Avoid release to the environment
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with 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 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)
  • P330 Rinse mouth
  • P391 Collect spillage
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (32)

  • D3174
  • F079617
  • PB48769
  • STR04005
  • SY015737
  • 1067-71-6
  • 682-094-9
  • BBL100721
  • NSC408852
  • STL554515
  • CS-W008714
  • NSC 408852
  • NSC-408852
  • EN300-86234
  • MFCD00044728
  • AKOS005255526
  • SCHEMBL246813
  • DTXSID90147731
  • RefChem:432077
  • DIETHYL ACETONYLPHOSPHONATE
  • diethyl 2-oxopropylphosphonate
  • Diethyl acetylmethylphosphonate
  • Diethyl(2-oxopropyl)phosphonate
  • 1-Diethoxyphosphinyl-2-propanone
  • 1-diethoxyphosphorylpropan-2-one
  • Diethyl (2-oxopropyl)phosphonate
  • 1-diethoxyphosphoryl-propan-2-one
  • Acetonylphosphonic Acid Diethyl Ester
  • Diethyl (2-oxopropyl)phosphonate, 96%
  • (2-Oxopropyl)phosphonic Acid Diethyl Ester
  • (2-oxo-propyl)-phosphonic acid diethyl ester
  • Phosphonic acid, (2-oxopropyl)-, diethyl ester

Frequently asked questions

What is the CAS number of 1-Diethoxyphosphorylpropan-2-one?

The CAS Registry Number for 1-Diethoxyphosphorylpropan-2-one is 1067-71-6.

What is the molecular formula of 1-Diethoxyphosphorylpropan-2-one?

1-Diethoxyphosphorylpropan-2-one has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol.

What is the SMILES notation for 1-Diethoxyphosphorylpropan-2-one?

The SMILES notation for 1-Diethoxyphosphorylpropan-2-one is CCOP(=O)(CC(=O)C)OCC.

Is 1-Diethoxyphosphorylpropan-2-one hazardous?

1-Diethoxyphosphorylpropan-2-one carries the following GHS hazard classifications: Corrosive, Health Hazard, Hazardous to the Environment. Signal word: Danger.

What are other names for 1-Diethoxyphosphorylpropan-2-one?

1-Diethoxyphosphorylpropan-2-one is also known as (2-oxo-propyl)-phosphonic acid diethyl ester, (2-Oxopropyl)phosphonic Acid Diethyl Ester, 1-Diethoxyphosphinyl-2-propanone, 1-diethoxyphosphoryl-propan-2-one, 1-diethoxyphosphorylpropan-2-one.

Data sourced from PubChem CID 14028. Last updated .

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