ChemicalBook--->CAS DataBase List--->1583-67-1

1583-67-1

1583-67-1 Structure

1583-67-1 Structure
IdentificationMore
[Name]

3-Fluorophthalic acid
[CAS]

1583-67-1
[Synonyms]

3-FLUORO-1,2-BENZENEDICARBOXYLIC ACID
3-FLUOROPHTHALIC ACID
1,2-Benzenedicarboxylic acid, 3-fluoro-
3-Fluorophthalic
3-Fluorophthalic acid 98%
3-Fluorophthalicacid98%
[EINECS(EC#)]

216-433-5
[Molecular Formula]

C8H5FO4
[MDL Number]

MFCD00039524
[Molecular Weight]

184.12
[MOL File]

1583-67-1.mol
Chemical PropertiesBack Directory
[Appearance]

White to light yellow crystal powder
[Melting point ]

175-177 °C (lit.)
[Boiling point ]

367.9±27.0 °C(Predicted)
[density ]

1.4111 (estimate)
[storage temp. ]

Store below +30°C.
[Water Solubility ]

Soluble in water
[form ]

powder to crystal
[pka]

2.32±0.10(Predicted)
[color ]

White to Light yellow
[BRN ]

2616684
[InChI]

InChI=1S/C8H5FO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
[InChIKey]

BBCQSMSCEJBIRD-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=CC=CC(F)=C1C(O)=O
[CAS DataBase Reference]

1583-67-1(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Fluorophthalic acid(1583-67-1)
Questions And AnswerBack Directory
[Preparation]

(I) Starting with 2,6-difluorobenzonitrile, it is amination-treated in an aprotic solvent to give 2-amino-6-fluorobenzonitrile; (II) 2-amino-6-fluorobenzonitrile is first diazotized and then reacted with liquid HBr to give 2-bromo-6-fluorobenzonitrile; (III) 2-bromo-6-fluorobenzonitrile is cyanided in an aprotic solvent to give 3-fluorophthalonitrile; (IV) 3-fluorophthalonitrile is hydrolyzed in an aqueous solution of an inorganic acid to give 3-fluorophthalic acid.
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 ]

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

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 ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29173990
Hazard InformationBack Directory
[Chemical Properties]

White to light yellow crystal powder
[Uses]

3-Fluorophthalic acid is a widely used chemical and pharmaceutical intermediate, such as being used in the preparation of third-generation quinolone antibacterial drugs.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Fluorophthalic acid(1583-67-1)MS
3-Fluorophthalic acid(1583-67-1)1HNMR
3-Fluorophthalic acid(1583-67-1)13CNMR
3-Fluorophthalic acid(1583-67-1)IR1
3-Fluorophthalic acid(1583-67-1)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Fluorophthalic acid, 98%(1583-67-1)
[Alfa Aesar]

3-Fluorophthalic acid, 97%(1583-67-1)
[Sigma Aldrich]

1583-67-1(sigmaaldrich)
[TCI AMERICA]

3-Fluorophthalic Acid,>97.0%(T)(1583-67-1)
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