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451-02-5

451-02-5 Structure

451-02-5 Structure
IdentificationMore
[Name]

ETHYL 3-FLUOROBENZOATE
[CAS]

451-02-5
[Synonyms]

3-FLUOROBENZOIC ACID ETHYL ESTER
ETHYL 3-FLUOROBENZOATE
ETHYL M-FLUOROBENZOATE
RARECHEM AL BI 0054
3-fluoro-benzoicaciethylester
Benzoic acid, m-fluoro-, ethyl ester
Ethyl 3-fluorobenzoate 98%
Ethyl3-fluorobenzoate98%
3-Fluorobenzoic acid ethyl
m-Fluorobenzoic acid ethyl ester
[EINECS(EC#)]

207-191-1
[Molecular Formula]

C9H9FO2
[MDL Number]

MFCD00000336
[Molecular Weight]

168.16
[MOL File]

451-02-5.mol
Chemical PropertiesBack Directory
[Appearance]

White to light yellow crystal powder
[Melting point ]

82°C
[Boiling point ]

94-95 °C/16 mmHg (lit.)
[density ]

1.136 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.485(lit.)
[Fp ]

180 °F
[storage temp. ]

Store at room temperature
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Specific Gravity]

1.136
[BRN ]

2045876
[InChI]

1S/C9H9FO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
[InChIKey]

SMMIKBXLEWTSJD-UHFFFAOYSA-N
[SMILES]

CCOC(=O)c1cccc(F)c1
[CAS DataBase Reference]

451-02-5(CAS DataBase Reference)
[EPA Substance Registry System]

Benzoic acid, 3-fluoro-, ethyl ester (451-02-5)
Safety DataBack Directory
[Hazard Codes ]

F
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S25:Avoid contact with eyes .
S24:Avoid contact with skin .
[WGK Germany ]

3
[Hazard Note ]

Flammable
[TSCA ]

Yes
[HazardClass ]

FLAMMABLE
[HS Code ]

29163990
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

3-(1H-Pyrazol-3-yl)benzoic acid-->ethyl 2-broMo-3-fluorobenzoate-->ethyl(S)-3-amino-3-(3-fluorophenyl)propanoate
Hazard InformationBack Directory
[Chemical Properties]

White to light yellow crystal powder
[Uses]

Ethyl 3-fluorobenzoate has been used in the synthesis of [2-(3-fluorophenyl)allyl]trimethylsilane.
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 3-FLUOROBENZOATE(451-02-5)1HNMR
ETHYL 3-FLUOROBENZOATE(451-02-5)Raman
ETHYL 3-FLUOROBENZOATE(451-02-5)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl 3-fluorobenzoate, 98%(451-02-5)
[Alfa Aesar]

Ethyl 3-fluorobenzoate, 98+%(451-02-5)
[Sigma Aldrich]

451-02-5(sigmaaldrich)
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