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Home > Encyclopedia > 3-(3-Fluorophenyl)propionic acid

3-(3-Fluorophenyl)propionic acid

3-(3-Fluorophenyl)propionic acid structure

3-(3-Fluorophenyl)propionic acid 

structure
  • CAS No:

    458-45-7

  • Formula:

    C9H9FO2

  • Chemical Name:

    3-(3-Fluorophenyl)propionic acid

  • Synonyms:

    Benzenepropanoic acid,3-fluoro-;Hydrocinnamic acid,m-fluoro-;3-Fluorobenzenepropanoic acid;m-Fluorohydrocinnamic acid;3-(3-Fluorophenyl)propanoic acid;3-(3-Fluorophenyl)propionic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

White solid

3-(3-Fluorophenyl)propionic acid Basic Attributes

168.17

168.16

DTXSID20372094

2916399090

Characteristics

37.3

1.8

1.2±0.1 g/cm3

43-47ºC

270.6°C at 760 mmHg

117.4±20.4 °C

1.522

0.00334mmHg at 25°C

Safety Information

NONH for all modes of transport

2

R22;R37/38;R41

S26-S36

Xn:Harmful;

P261-P280-P305 + P351 + P338

H302-H315-H318-H335

|Danger|H302 (84.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(3-Fluorophenyl)propionic acid Use and Manufacturing

Methods of Manufacturing

Step 1 (MZ-S1):3-fluorocinammic acid (20 g, 121 .9 mmol) was hydrogenated with 10percent Pd-C (2 g) in ethanolunder hydrogen pressure (7opsi) for 2h. The reaction mass was filtered through celite andwashed with ethanol. The filtrate was concentrated under reduced pressure to afford 19.5 g(97percent) of MZ-S1 as an off white solid, further used without any purification.

Benzenepropanoic acid, 3-fluoro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:168.16
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.05865769
Monoisotopic Mass:168.05865769
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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