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7254-19-5

7254-19-5 Structure

7254-19-5 Structure
IdentificationMore
[Name]

5-Bromoindole-2-carboxylic acid
[CAS]

7254-19-5
[Synonyms]

1H-INDOLE-2-CARBOXYLIC ACID, 5-BROMO-
5-BROMO-1H-INDOLE-2-CARBOXYLIC ACID
5-BROMO-2-INDOLECARBOXYLIC ACID
5-BROMOINDOLE-2-CARBOXYLIC ACID
AKOS JY2082545
5-bromoindole-2-carboxylicacid5-Bromoindole-2-carboxylicacid
[Molecular Formula]

C9H6BrNO2
[MDL Number]

MFCD00022705
[Molecular Weight]

240.05
[MOL File]

7254-19-5.mol
Chemical PropertiesBack Directory
[Melting point ]

287-288
[Boiling point ]

470.9±25.0 °C(Predicted)
[density ]

1.838±0.06 g/cm3(Predicted)
[storage temp. ]

−20°C
[form ]

Solid
[pka]

4.25±0.30(Predicted)
[color ]

White to Light yellow to Light orange
[InChI]

InChI=1S/C9H6BrNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
[InChIKey]

YAULOOYNCJDPPU-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=C(Br)C=C2)C=C1C(O)=O
[CAS DataBase Reference]

7254-19-5(CAS DataBase Reference)
Safety DataBack Directory
[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 ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Polyphosphoric acid-->Ethyl pyruvate-->Lithium hydroxide-->4-BROMOPHENYLHYDRAZINE HYDROCHLORIDE
[Preparation Products]

Ethyl 5-Bromoindole-2-carboxylate-->5-Bromoindole-2-carboxylic acid methyl ester
Hazard InformationBack Directory
[Uses]

5-Bromoindole-2-carboxylic acid,Reactant involved in studies of biologically active molecules including:Discovery of indole inhibitors of MMP-13 for treatment of arthritic diseases1;Synthesis of indolyl ethanones as indoleamine 2,3-dioxygenase inhibitors2 ;cis-Diaminocyclohexane derivatives prepared for use as factor Xa inhibitors3 ;Synthesis of tubulin polymerization inhibitors and cancer cell growth inhibitors4 ;Preparation of dual PPARγ/δ agonists5;Synthesis of chemical probes to examine the role of hFPRL1 receptor .
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

7254-19-5(sigmaaldrich)
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