4-Fluorophenylacetic acid

CAS No.：405-50-5

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
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4-Fluorophenylacetic acid Basic information

Product Name:	4-Fluorophenylacetic acid
Synonyms:	4-Fluorobenzeneacetic acid;4-fluoro-benzeneaceticaci;Acetic acid, (p-fluorophenyl)-;NSC 402;4-FLUOROPHENYLACETIC ACID FOR SYNTHESIS;4-FLUOROPHENYLACETIC ACID;The fluorine benzene acetic acid;A085 4-Fluorophenylacetic acid
CAS:	405-50-5
MF:	C8H7FO2
MW:	154.14
EINECS:	206-972-4
Product Categories:	Aryl Fluorinated Building Blocks;Building Blocks;C7-C8;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Aromatic Phenylacetic Acids and Derivatives;Fluorobenzene;Carboxylic Acids;Phenyls & Phenyl-Het;C8;Carbonyl Compounds;Fluorinated Building Blocks;Organic Building Blocks;Phenylacetic acid series;API intermediates;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks
Mol File:	405-50-5.mol

4-Fluorophenylacetic acid Chemical Properties

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
CAS DataBase Reference	405-50-5(CAS DataBase Reference)
NIST Chemistry Reference	Benzeneacetic acid, 4-fluoro-(405-50-5)
EPA Substance Registry System	Benzeneacetic acid, 4-fluoro- (405-50-5)

Safety Information

Hazard Codes	Xi
Risk Statements	38-36/37/38
Safety Statements	22-24/25-36/37/39-27-26
WGK Germany	3
TSCA	T
HazardClass	IRRITANT
HS Code	29163900

MSDS Information

Provider	Language
p-Fluorophenylacetic acid	English
SigmaAldrich	English
ACROS	English
ALFA	English

4-Fluorophenylacetic acid Usage And Synthesis

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.]

4-Fluorophenylacetic acid Preparation Products And Raw materials

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

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