ChemicalBook--->CAS DataBase List--->455-40-3

455-40-3

455-40-3 Structure

455-40-3 Structure
IdentificationMore
[Name]

3,5-Difluorobenzoic acid
[CAS]

455-40-3
[Synonyms]

3,5-DIFLUOROBENZOIC ACID
RARECHEM AL BO 0255
TIMTEC-BB SBB006663
3,5-Difluorobenzoicacid,97%
3,5-Difluorobenzoic
3,5-Difluorobenzoic acid 98%
3,5-Difluorobenzoicacid98%
[EINECS(EC#)]

610-261-8
[Molecular Formula]

C7H4F2O2
[MDL Number]

MFCD00010323
[Molecular Weight]

158.1
[MOL File]

455-40-3.mol
Chemical PropertiesBack Directory
[Appearance]

off-white needles and chunks
[Melting point ]

121-123 °C (lit.)
[Boiling point ]

243.2±20.0 °C(Predicted)
[density ]

1.3486 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

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

Solid
[pka]

3.52±0.10(Predicted)
[color ]

White to Pale Yellow
[BRN ]

1940680
[InChIKey]

GONAVIHGXFBTOZ-UHFFFAOYSA-N
[CAS DataBase Reference]

455-40-3(CAS DataBase Reference)
[EPA Substance Registry System]

Benzoic acid, 3,5-difluoro- (455-40-3)
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 .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29163990
Hazard InformationBack Directory
[Chemical Properties]

off-white needles and chunks
[Uses]

3,5-Difluorobenzoic Acid can be used as reactant/reagent in Rh(III)-catalyzed regioselective heterocyclization of benzoic acids with acrylates to give phthalides with water as the solvent
[General Description]

3,5-Difluorobenzoic acid forms dimers that were stabilized by hydrogen bonds between carboxyl groups. The on-line determination of 3,5-difluorobenzoic acid in water was studied using membrane inlet mass spectrometry with in-membrane preconcentration.
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Difluorobenzoic acid(455-40-3)MS
3,5-Difluorobenzoic acid(455-40-3)1HNMR
3,5-Difluorobenzoic acid(455-40-3)13CNMR
3,5-Difluorobenzoic acid(455-40-3)IR1
3,5-Difluorobenzoic acid(455-40-3)IR2
3,5-Difluorobenzoic acid(455-40-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3,5-Difluorobenzoic acid, 97%(455-40-3)
[Sigma Aldrich]

455-40-3(sigmaaldrich)
[TCI AMERICA]

3,5-Difluorobenzoic Acid,>98.0%(T)(455-40-3)
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