ChemicalBook--->CAS DataBase List--->405-50-5

405-50-5

405-50-5 Structure

405-50-5 Structure
IdentificationMore
[Name]

4-Fluorophenylacetic acid
[CAS]

405-50-5
[Synonyms]

2-(4-FLUOROPHENYL)ACETIC ACID
4-FLUOROPHENYLACETIC ACID
P-FLUOROPHENYLACETIC ACID
RARECHEM AL BO 0131
4-Fluorobenzeneacetic acid
4-fluoro-benzeneaceticaci
Acetic acid, (p-fluorophenyl)-
Ba 2821
4-Fluorophenylaceticacid,98%
4-Fluorophenylacetic
Benzeneacetic acid, 4-fluoro-
4-Fluorophenylacetic acid 98%
[EINECS(EC#)]

206-972-4
[Molecular Formula]

C8H7FO2
[MDL Number]

MFCD00004343
[Molecular Weight]

154.14
[MOL File]

405-50-5.mol
Chemical PropertiesBack Directory
[Appearance]

white shiny crystalline powder or flakes
[Melting point ]

81-83 °C (lit.)
[Boiling point ]

164°C (2.25 torr)
[density ]

1.1850 (estimate)
[Fp ]

>100°C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Shiny Crystalline Powder or Flakes
[pka]

pK1:4.25 (25°C)
[color ]

White
[Water Solubility ]

Insoluble in water.
[Merck ]

14,4177
[BRN ]

972145
[InChI]

InChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
[InChIKey]

MGKPFALCNDRSQD-UHFFFAOYSA-N
[SMILES]

C1(CC(O)=O)=CC=C(F)C=C1
[CAS DataBase Reference]

405-50-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzeneacetic acid, 4-fluoro-(405-50-5)
[EPA Substance Registry System]

405-50-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R38:Irritating to the skin.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

T
[HazardClass ]

IRRITANT
[HS Code ]

29163900
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2,3-Dichloro-5,8-dihydroxy-1,4-naphthoquinone-->Benzaldehyde, 4-fluoro-, hydrazone (9CI)-->2,3,4,6-Tetra-O-pivaloyl-D-glucopyranosyl amine-->Methyl 4-fluorophenylacetate-->4-Fluorobenzylboronic acid pinacol ester-->4-Fluorophenylacetic acid ethyl ester-->4-Fluorophenylacetylene-->4-Fluorobenzyl bromide-->4-Fluorostyrene-->4-Fluorobenzyl chloride
[Preparation Products]

4-Fluorophenylacetyl chloride-->1,2-Bis-(4-fluorophenyl)ethanone-->4-Fluorobenzyl isocyanate-->N-(2,2-Dichloro-1-hydroxyethyl)-4-fluorobenzeneacetamide-->(4-Fluorophenyl)acetic-2,2-d2 Acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

p-Fluorophenylacetic acid(405-50-5).msds
Hazard InformationBack Directory
[Chemical Properties]

white shiny crystalline powder or flakes
[Uses]

4-Fluorophenylacetic acid is used as an intermediate in the production of fluorinated anesthetics.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 78, p. 6037, 1956 DOI: 10.1021/ja01604a023
[Purification Methods]

Crystallise it from heptane, but it is best purified by distillation at high vacuum. [Bergmann et al. J Am Chem Soc 78 6037 1956, Beilstein 9 III 2261, 9 IV 1672.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-Fluorophenylacetic acid(405-50-5)MS
4-Fluorophenylacetic acid(405-50-5)1HNMR
4-Fluorophenylacetic acid(405-50-5)13CNMR
4-Fluorophenylacetic acid(405-50-5)IR1
4-Fluorophenylacetic acid(405-50-5)IR2
4-Fluorophenylacetic acid(405-50-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Fluorophenylacetic acid, 98%(405-50-5)
[Alfa Aesar]

4-Fluorophenylacetic acid, 98%(405-50-5)
[Sigma Aldrich]

405-50-5(sigmaaldrich)
[TCI AMERICA]

4-Fluorophenylacetic Acid,>98.0%(T)(405-50-5)
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