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459-31-4

459-31-4 Structure

459-31-4 Structure
IdentificationMore
[Name]

3-(4-FLUOROPHENYL)PROPIONIC ACID
[CAS]

459-31-4
[Synonyms]

3-(4-FLUOROPHENYL)PROPANOIC ACID
3-(4-FLUOROPHENYL)PROPIONIC ACID
3-(4-FLUOROPHENYL)PROPRIONIC ACID
AKOS BC-2700
3-(4-fluorobenzene)propionic acid
3-(4-Fluorophenyl)propionic acid 97%
3-(4-Fluorophenyl)propionicacid97%
[EINECS(EC#)]

670-328-2
[Molecular Formula]

C9H9FO2
[MDL Number]

MFCD00060327
[Molecular Weight]

168.16
[MOL File]

459-31-4.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white crystalline powder or crystals
[Melting point ]

86-91 °C (lit.)
[Boiling point ]

105-107 °C(Press: 22 Torr)
[density ]

1.222±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

slightly sol. in Methanol
[form ]

Crystalline Powder or Crystals
[pka]

4?+-.0.10(Predicted)
[color ]

White to off-white
[BRN ]

1869084
[InChI]

InChI=1S/C9H9FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
[InChIKey]

ZMKXWDPUXLPHCA-UHFFFAOYSA-N
[SMILES]

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

459-31-4(CAS DataBase Reference)
[NIST Chemistry Reference]

3-(4-Fluorophenyl)propionic acid(459-31-4)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

C,Xi
[Risk Statements ]

R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Corrosive
[HazardClass ]

IRRITANT
[HS Code ]

29163990
[Storage Class]

13 - Non Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Methanol-->Diethyl ether-->Dichloromethane-->Sodium-->Petroleum ether-->Magnesium sulfate-->Sodium chloride-->Hexane-->Diethyl malonate-->Dimethyl malonate-->4-Fluorobenzyl chloride
[Preparation Products]

6-Fluoro-1-indanone
Hazard InformationBack Directory
[Chemical Properties]

white to off-white crystalline powder or crystals
[Uses]

3-(4-Fluorophenyl)propionic acid may be used in the synthesis of 2-oxopiperazine guanidine analog.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(4-FLUOROPHENYL)PROPIONIC ACID(459-31-4)1HNMR
3-(4-FLUOROPHENYL)PROPIONIC ACID(459-31-4)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-(4-Fluorophenyl)propionic acid, 98%(459-31-4)
[Alfa Aesar]

3-(4-Fluorophenyl)propionic acid, 97%(459-31-4)
[Sigma Aldrich]

459-31-4(sigmaaldrich)
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