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ChemicalBook--->CAS DataBase List--->456-22-4

456-22-4

456-22-4 Structure

456-22-4 Structure
IdentificationMore
[Name]

4-Fluorobenzoic acid
[CAS]

456-22-4
[Synonyms]

4-FLUOROBENZOIC ACID
AKOS 92636
PFBA
P-FLUOROBENZOIC ACID
RARECHEM AL BO 0053
TIMTEC-BB SBB008568
4-fluoro-benzoicaci
Benzoic acid, p-fluoro-
Benzoicacid,4-fluoro-
fluorobenzoicacid
para-Fluorobenzoic acid
p-Fluorobenzoic Acid 4-Fluorobenzoic Acid
4-Fluorobenzoi acid
4-FLUOROBENZOIC ACID, SUBLIMED, 99%
4-FLUOROBENZOIC ACID, FOR ELEMENTAL ANALYSIS
P-FLUOROBENZOIC ACID GRADE I
4-Fluorobenzoicacid,98%
p-Fluorobenzoic
p-Fluorobenzoicacid,min.97%
4-Fluorobenzoic acid ,99%
[EINECS(EC#)]

207-259-0
[Molecular Formula]

C7H5FO2
[MDL Number]

MFCD00002530
[Molecular Weight]

140.11
[MOL File]

456-22-4.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

182-184 °C (lit.)
[Boiling point ]

117 °C
[density ]

1.479
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

alcohol: soluble
[form ]

Crystalline Powder
[pka]

4.15(at 25℃)
[color ]

White to slightly yellow
[Water Solubility ]

Soluble in alcohol, hot water, methanol, and ether. Very slightly soluble in cold water.
[Merck ]

14,4171
[BRN ]

1906922
[InChIKey]

BBYDXOIZLAWGSL-UHFFFAOYSA-N
[CAS DataBase Reference]

456-22-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 4-fluoro-(456-22-4)
[EPA Substance Registry System]

456-22-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R41:Risk of serious damage to eyes.
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 .
S39:Wear eye/face protection .
S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

T
[HazardClass ]

IRRITANT
[HS Code ]

29163900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Fluoroboric acid-->4-Fluorobenzaldehyde-->Benzocaine-->STANDARD BUFFER-->Ethyl 4-fluorobenzoate-->N-Benzylhydroxylamine hydrochloride
[Preparation Products]

Lomefloxacin-->(4-(4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL)PHENYL)METHANOL-->4-Fluorobenzoyl chloride-->4-Fluorobenzyl chloride-->4-Fluoro-2-methylbenzoic acid-->4-Fluoro-3-nitrobenzoic acid-->4-FLUOROBENZOIC ANHYDRIDE-->1(3H)-ISOBENZOFURANONE, 5-FLUORO--->2-(4-Fluorophenyl)-pyrrolidine-->4-FLUORO-3-METHYLBENZOIC ACID-->N-(2,2-Dichloro-1-hydroxyethyl)-4-fluorobenzamide-->N,N-Bis(2-chloroethyl)-p-fluorobenzylamine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Fluorobenzoic acid(456-22-4).msds
Questions And AnswerBack Directory
[Description]

4-Fluorobenzoic acid is used as an intermediate in organic synthesis. For instance, it is used to synthesize N-cuccinimidyl 4-[18F]-fluorobenzoate, which is used for the 18F labeling of antibodies. It has been used in high resolution charge density study.
[Reference]

AG. Vaidyanathan, M. R. Zalutsky, Improved Synthesis of N-Succinimidyl 4-[18F]Fluorobenzoate and Its Application to the Labeling of a Monoclonal Antibody Fragment, Bioconjuate Chemistry, 1994, vol. 5, pp. 352-356
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

4-Fluorobenzoic acid has been used in high resolution charge density study.
[Definition]

ChEBI: A fluorobenzoic acid carrying a fluoro substituent at position 4.
[Purification Methods]

Crystallise the acid from 50% aqueous EtOH, then purify it by zone melting or vacuum sublimation at 130-140o. [Beilstein 9 H 333, 9 III 1327, 9 IV 953.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Fluorobenzoic acid(456-22-4)MS
4-Fluorobenzoic acid(456-22-4)1HNMR
4-Fluorobenzoic acid(456-22-4)13CNMR
4-Fluorobenzoic acid(456-22-4)IR1
4-Fluorobenzoic acid(456-22-4)IR2
4-Fluorobenzoic acid(456-22-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Fluorobenzoic acid, 99%(456-22-4)
[Alfa Aesar]

4-Fluorobenzoic acid, 98%(456-22-4)
[Sigma Aldrich]

456-22-4(sigmaaldrich)
[TCI AMERICA]

4-Fluorobenzoic Acid,>97.0%(GC)(456-22-4)
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