ChemicalBook--->CAS DataBase List--->871329-84-9

871329-84-9

871329-84-9 Structure

871329-84-9 Structure
IdentificationBack Directory
[Name]

(3-CARBOXY-5-FLUORO)BENZENEBORONIC ACID
[CAS]

871329-84-9
[Synonyms]

3-Borono-5-fluoro-benzoic acid
3-Carboxy-5-fluorobenzeneboronic
Benzoic acid, 3-borono-5-fluoro-
3-Fluoro-5-Carboxyphenylboronic acid
3-CARBOXY-5-FLUOROPHENYLBORONIC ACID
(3-CARBOXY-5-FLUORO)BENZENEBORONIC ACID
(3-Carboxy-5-fluoro)benzeneboronicacid98%
3-Carboxy-5-fluorophenylboronic acid >=95%
3-Carboxy-5-fluorophenylboronic Acid (contains varying amounts of Anhydride)
3-Carboxy-5-fluorobenzeneboronic acid(contains varying amounts of Anhydride)
[Molecular Formula]

C7H6BFO4
[MDL Number]

MFCD07363791
[MOL File]

871329-84-9.mol
[Molecular Weight]

183.93
Chemical PropertiesBack Directory
[Melting point ]

264-266℃
[Boiling point ]

434.0±55.0 °C(Predicted)
[density ]

1.49±0.1 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

Storage temp. 2-8°C
[form ]

powder to crystal
[pka]

3.87±0.10(Predicted)
[color ]

White to Almost white
[InChI]

1S/C7H6BFO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H,10,11)
[InChIKey]

APHPXZJIUTVQNC-UHFFFAOYSA-N
[SMILES]

OB(O)c1cc(F)cc(c1)C(O)=O
Questions And AnswerBack Directory
[Uses]

3-Carboxy-5-fluorophenylboronic acid is a carboxylic acid derivative that can be used as an intermediate in organic synthesis.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

nwg
[Hazard Note ]

Irritant
[HS Code ]

2931900090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

(3-CARBOXY-5-FLUORO)BENZENEBORONIC ACID(871329-84-9)1HNMR
(3-CARBOXY-5-FLUORO)BENZENEBORONIC ACID(871329-84-9)19FNMR
(3-CARBOXY-5-FLUORO)BENZENEBORONIC ACID(871329-84-9)13CNMR
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