| Identification | More | [Name]
Indole-6-carboxylic acid | [CAS]
1670-82-2 | [Synonyms]
1H-INDOLE-6-CARBOXYLIC ACID
4-CARBOXAMIDOBENZOIC ACID
6-CARBOXYINDOLE
6-INDOLECARBOXYLIC ACID
INDOLE-6-CARBOXYLIC ACID
LABOTEST-BB LT00441293
P-CARBOXYLIC ACID BENZAMIDE
RARECHEM AL BE 1265
RARECHEM AL BO 0290
TEREPHTHALIC ACID MONOAMIDE
TIMTEC-BB SBB000134
Indole-6-carboxylicacid,purum
Indole-6-carboxylic acid, 98+%
6-INDOLECARBOXYLIC ACID:INDOLE-6-CARBOXYLIC ACID | [EINECS(EC#)]
605-464-3 | [Molecular Formula]
C9H7NO2 | [MDL Number]
MFCD02258929 | [Molecular Weight]
161.16 | [MOL File]
1670-82-2.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow-beige to orange-brown powder | [Melting point ]
249-253 °C(lit.) | [Boiling point ]
287.44°C (rough estimate) | [density ]
1.2480 (rough estimate) | [refractive index ]
1.5050 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
Powder | [pka]
4.44±0.30(Predicted) | [color ]
Yellow-beige to orange-brown | [Detection Methods]
HPLC,NMR | [BRN ]
123991 | [InChI]
InChI=1S/C9H7NO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,(H,11,12) | [InChIKey]
GHTDODSYDCPOCW-UHFFFAOYSA-N | [SMILES]
N1C2=C(C=CC(C(O)=O)=C2)C=C1 | [CAS DataBase Reference]
1670-82-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R21/22:Harmful in contact with skin and if swallowed .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S22:Do not breathe dust .
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 . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
29339900 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow-beige to orange-brown powder | [Uses]
• ;Reactant for preparation of D-glutamic acid-based inhibitors of E. coli MurD ligase1• ;Reactant for preparation of indolylindazoles and indolylpyrazolopyridines as interleukin-2 inducible T cell kinase inhibitors2• ;Reactant for preparation of amide conjugates with ketoprofen, as inhibitors of Gli1-mediated transcription in Hedgehog pathway3• ;Reactant for preparation of piperazine-bisamide analogs as human growth hormone secretagogue receptor antagonists for treatment of obesity4• ;Reactant for preparation of pyridinyl carboxylates via esterification with chlorohyd | [Uses]
- Reactant for preparation of D-glutamic acid-based inhibitors of E. coli MurD ligase
- Reactant for preparation of indolylindazoles and indolylpyrazolopyridines as interleukin-2 inducible T cell kinase inhibitors
- Reactant for preparation of amide conjugates with ketoprofen, as inhibitors of Gli1-mediated transcription in Hedgehog pathway
- Reactant for preparation of piperazine-bisamide analogs as human growth hormone secretagogue receptor antagonists for treatment of obesity
- Reactant for preparation of pyridinyl carboxylates via esterification with chlorohydroxypyridine as SARS-CoV 3CL proinhibitors
- Reactant for preparation of (indolecarbonyl)-D-phenylglycinamide amides as factor Xa inhibitors
| [Uses]
Reactant for preparation of D-glutamic acid-based inhibitors of E. coli MurD ligase ? Reactant for preparation of indolylindazoles and indolylpyrazolopyridines as interleukin-2 inducible T cell kinase inhibitors ? Reactant for preparation of amide conju | [Synthesis Reference(s)]
Journal of Medicinal Chemistry, 35, p. 2419, 1992 DOI: 10.1021/jm00091a010 |
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