| Identification | More | [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 Properties | Back 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 | [InChI]
1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) | [InChIKey]
BBYDXOIZLAWGSL-UHFFFAOYSA-N | [SMILES]
OC(=O)c1ccc(F)cc1 | [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 Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319 | [Precautionary statements ]
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313 | [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 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2 |
| Questions And Answer | Back 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 Information | Back 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.] |
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