2-(4-Acetylphenyl)-2,2-difluoroacetic acid

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Basic information

CAS: 1308915-16-3
Standard SMILES: CC(=O)c1ccc(C(F)(F)C(=O)O)cc1
InChIKey: NTEXUINTPQGRTK-UHFFFAOYSA-N
Molecular formula: C10H8F2O3
Average molar mass: 214.16 g/mol

Names & identifiers

Preferred name: 2-(4-Acetylphenyl)-2,2-difluoroacetic acid
IUPAC: 2-(4-acetylphenyl)-2,2-difluoroacetic acid
English name: 2-(4-Acetylphenyl)-2,2-difluoroacetic Acid
Molecular formula: C10H8F2O3
Molecular weight: 214.1655264

Names & synonyms

2-(4-acetylphenyl)-2,2-difluoroacetic acid1308915-16-3MFCD245034442-(4-acetylphenyl)-2,2-difluoroaceticacidSCHEMBL12004072AC1407AKOS037621150AC-30080CS-12165SY038906DB-202145CS-0375923

Show more names

Benzeneacetic acid, 4-acetyl-α,α-difluoro-

2-(4-acetylphenyl)-2,2-difluoro-acetic acidBenzeneacetic acid, 4-acetyl-alpha,alpha-difluoro-F760511

Database identifiers

CAS: 1308915-16-3

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 268

Physicochemical properties

Boiling point: 348.4 · 348.4±42.0 °C(Predicted)
Density: 1.337 · 1.337±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 0.89 · 0.89±0.10(Predicted)
Appearance: Light yellow to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2918300090 · 2918300090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code: 2918300090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Ethyl 2-(4-Acetylphenyl)-2,2-difluoroacetate

Related reactions

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Compound notes

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