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77095-51-3

77095-51-3 Structure

77095-51-3 Structure
IdentificationBack Directory
[Name]

benzofuran-6-carboxylic acid
[CAS]

77095-51-3
[Synonyms]

Lifitegrast Impurity 29
Lifitegrast Intermediate 1
Benzofuran-6-Caboxylic Acid
6-Benzofurancarboxylic acid
benzofuran-6-carboxylic acid
1-benzofuran-6-carboxylic acid
[Molecular Formula]

C9H6O3
[MDL Number]

MFCD01006751
[MOL File]

77095-51-3.mol
[Molecular Weight]

162.142
Questions And AnswerBack Directory
[Physical Form]

Solid
[Uses]

Benzofuran-6-carboxylic Acid is a reagent in the development of potent LFA-1/ICAM antagonist SAR 118 as an opthalmic solution for treating dry eyes. Preparation of piperidinylpyrimidine derivatives as inhibitors of HIV-1 LTR activation. It is also an important intermediate applied in organic synthesis.

Chemical PropertiesBack Directory
[Melting point ]

>182°C (dec.)
[Boiling point ]

325.6±15.0 °C(Predicted)
[density ]

1.363
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.02±0.30(Predicted)
[color ]

Dark Yellow to Very Dark Yellow
[InChI]

InChI=1S/C9H6O3/c10-9(11)7-2-1-6-3-4-12-8(6)5-7/h1-5H,(H,10,11)
[InChIKey]

RVDHGRQELZPGCO-UHFFFAOYSA-N
[SMILES]

O1C2=CC(C(O)=O)=CC=C2C=C1
[CAS DataBase Reference]

77095-51-3
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2932990090
Spectrum DetailBack Directory
[Spectrum Detail]

benzofuran-6-carboxylic acid(77095-51-3)1HNMR
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