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360-03-2

360-03-2 Structure

360-03-2 Structure
IdentificationMore
[Name]

2,3-Difluorophenylacetic acid
[CAS]

360-03-2
[Synonyms]

2,2-DIFLUORO-2-PHENYLACETIC ACID
A,A-DIFLUOROPHENYLACETIC ACID
ALPHA,ALPHA-DIFLUOROPHENYLACETIC ACID
DIFLUORO(PHENYL)ACETIC ACID
alpha-Difluoro-benzeneacetic acid
2,3-DIFLUOROPHENYLACETIC ACID 95+%
2,3-Difluorophenylacetic acid
2,3-DIFLUUOROPHENYL ACETIC ACID
ɑ,ɑ-Difluorophenylacetic acid, 99%
[EINECS(EC#)]

623-610-4
[Molecular Formula]

C8H6F2O2
[MDL Number]

MFCD00498146
[Molecular Weight]

172.13
[MOL File]

360-03-2.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powde
[Melting point ]

65-75 °C
[Boiling point ]

0°C
[density ]

1.338±0.06 g/cm3(Predicted)
[Fp ]

0°C
[storage temp. ]

Refrigerator, Under inert atmosphere
[solubility ]

Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly)
[form ]

Solid
[pka]

1.04±0.10(Predicted)
[color ]

White to Pale Yellow
[InChI]

1S/C8H6F2O2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H,(H,11,12)
[InChIKey]

PFKSLFZFBCIJOI-UHFFFAOYSA-N
[SMILES]

OC(=O)C(F)(F)c1ccccc1
[CAS DataBase Reference]

360-03-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

C,Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN3261
[WGK Germany ]

3
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Description]

α,α-Difluorophenylacetic acid is a phenylacetic acid with two fluorides on the benzylic carbon. The inductive effect of the difluoromethyl group increases the acidity of α,α-difluorophenylacetic acid. α,α-difluorophenylacetic acid and 2-arylbenzoimidazoles could be used as reaction substrates to synthesise difluoroarymethyl-substituted benzimidazo[2,1-a]isoquinolin-6(5H)-ones through radical cascade cyclization[1].
[Chemical Properties]

white to light yellow crystal powde
[Uses]

Α,α-Difluorophenylacetic acid is used as an intermediate in pharmaceuticals, pesticides, and liquid crystal materials.
[References]

[1] Kaixia Sui, Yuting Leng* and Yangjie Wu*. “Synthesis of Difluoroarymethyl-Substituted Benzimidazo[2,1-a]isoquinolin-6(5H)-ones under Mild Conditions.” ACS Omega 8 8 (2023): 7517–7528.
Spectrum DetailBack Directory
[Spectrum Detail]

α,α-Difluorophenylacetic acid(360-03-2)1HNMR
α,α-Difluorophenylacetic acid(360-03-2)19FNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,2-difluoro-2-phenylacetic acid(360-03-2)
[Alfa Aesar]

alpha,alpha-Difluorophenylacetic acid, 99%(360-03-2)
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