ChemicalBook--->CAS DataBase List--->455-38-9

455-38-9

455-38-9 Structure

455-38-9 Structure
IdentificationMore
[Name]

3-Fluorobenzoic acid
[CAS]

455-38-9
[Synonyms]

3-FLUOROBENZOIC ACID
LABOTEST-BB LT01148320
M-FLUOROBENZOIC ACID
RARECHEM AL BO 0038
3-fluoro-benzoicaci
3-Fluorobenzonicacid
Benzoic acid, m-fluoro-
meta-Fluorobenzoic acid
Fluorobenzoicacidwhitepowder
m-Fluorobenzoic Acid 3-Fluorobenzoic Acid
3-Fluorobenzoi acid
3-Fluorobenzoicacid,99%
1-chloro-4-fluorobezene
3-Fluorobenzoicacid98%
3-Fluorbenzoesure
[EINECS(EC#)]

207-248-0
[Molecular Formula]

C7H5FO2
[MDL Number]

MFCD00002489
[Molecular Weight]

140.11
[MOL File]

455-38-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

122-124 °C (lit.)
[Boiling point ]

226.1°C (rough estimate)
[density ]

1.474
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

1.5g/l
[form ]

Powder
[pka]

3.86(at 25℃)
[color ]

White to light yellow
[Water Solubility ]

Very soluble in water.
[Detection Methods]

GC
[BRN ]

1906920
[InChI]

InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
[InChIKey]

MXNBDFWNYRNIBH-UHFFFAOYSA-N
[SMILES]

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

455-38-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 3-fluoro-(455-38-9)
[EPA Substance Registry System]

455-38-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R37/38:Irritating to respiratory system and skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

1
[Hazard Note ]

Irritant
[TSCA ]

T
[HazardClass ]

IRRITANT
[HS Code ]

29163900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-Fluorobenzyl alcohol-->2,5-Difluorobenzoic acid-->2,3,6-TRIFLUOROBENZOIC ACID-->Methanol-->carbon monoxide-->3-Fluorotoluene-->Benzoic acid-->3-Bromofluorobenzene
[Preparation Products]

3-Fluorobenzoylacetonitrile-->METHYL 3-FLUOROBENZOATE-->3-Fluorobenzaldehyde-->1(2H)-Isoquinolinone,5-fluoro-(9CI)-->2-Bromo-3-fluorobenzoic acid-->5-Fluoro-2-nitrobenzoic acid-->3-fluoro-4-nitrobenzaMide-->3-FLUORO-2-METHYLBENZOIC ACID-->ETHYL 5-(3-FLUOROPHENYL)-1,3-OXAZOLE-4-CARBOXYLATE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

m-Fluorobenzoic acid(455-38-9).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

3-Fluorobenzoic Acid (cas# 455-38-9) is a compound useful in organic synthesis.
[Definition]

ChEBI: A fluorobenzoic acid that is benzoic acid substituted by a fluoro group at position 3.
[Synthesis]

It is obtained by deaminating 2-amino-5-chlorobenzoic acid.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Fluorobenzoic acid(455-38-9)MS
3-Fluorobenzoic acid(455-38-9)1HNMR
3-Fluorobenzoic acid(455-38-9)13CNMR
3-Fluorobenzoic acid(455-38-9)IR1
3-Fluorobenzoic acid(455-38-9)IR2
3-Fluorobenzoic acid(455-38-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Fluorobenzoic acid, 99%(455-38-9)
[Alfa Aesar]

3-Fluorobenzoic acid, 99%(455-38-9)
[Sigma Aldrich]

455-38-9(sigmaaldrich)
[TCI AMERICA]

3-Fluorobenzoic Acid,>98.0%(T)(455-38-9)
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