ChemicalBook--->CAS DataBase List--->85068-27-5

85068-27-5

85068-27-5 Structure

85068-27-5 Structure
IdentificationMore
[Name]

2,5-Difluorophenylacetic acid
[CAS]

85068-27-5
[Synonyms]

2,5-DIFLUOROPHENYLACETIC ACID
RARECHEM AL BO 0248
TIMTEC-BB SBB006659
Benzeneacetic acid, 2,5-difluoro-
2-(2,5-DIFLUOROPHENYL)ACETIC ACID
2-flurobenzonitrile
2,5-Difluorophenylacetic acid 97%
2,5-Difluorophenylaceticacid97%
2,5-Difluorobenzeneacetic acid
[EINECS(EC#)]

285-288-8
[Molecular Formula]

C8H6F2O2
[MDL Number]

MFCD00010000
[Molecular Weight]

172.13
[MOL File]

85068-27-5.mol
Chemical PropertiesBack Directory
[Appearance]

white crystals or crystalline flakes
[Melting point ]

126-128 °C (lit.)
[Boiling point ]

219°C (rough estimate)
[density ]

1,02 g/cm3
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

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

Solid
[pka]

3.81±0.10(Predicted)
[color ]

White to Off-White
[BRN ]

6844956
[InChI]

1S/C8H6F2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
[InChIKey]

FKCRTRYQHZHXES-UHFFFAOYSA-N
[SMILES]

OC(=O)Cc1cc(F)ccc1F
[CAS DataBase Reference]

85068-27-5(CAS DataBase Reference)
[NIST Chemistry Reference]

2,5-Difluorophenylacetic acid(85068-27-5)
Safety DataBack Directory
[Hazard Codes ]

Xi
[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 .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

white crystals or crystalline flakes
[Uses]

2,5-Difluorophenylacetic acid has been used in the synthesis of 2,2-dimethyl-4-(2,5-difluorophenyl)-5-[4-(aminosulfonyl)phenyl]-3(2H)-furanone.
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-Difluorophenylacetic acid(85068-27-5)1HNMR
2,5-Difluorophenylacetic acid(85068-27-5)Raman
2,5-Difluorophenylacetic acid(85068-27-5)IR
2,5-Difluorophenylacetic acid(85068-27-5)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,5-Difluorophenylacetic acid, 95%(85068-27-5)
[Alfa Aesar]

2,5-Difluorophenylacetic acid, 98%(85068-27-5)
[Sigma Aldrich]

85068-27-5(sigmaaldrich)
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