| Identification | More | [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 Properties | Back 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 Data | Back Directory | [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 Products | Back 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 |
| Hazard Information | Back 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.] |
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