1H-indole-2-carboxylicacid

Synonym(s):
2-Carboxyindole;2-Indolylformic acid;NSC 16598

CAS NO.：

Empirical Formula: C9H7NO2

Molecular Weight: 161.16

MDL number: MFCD00005611

EINECS: 216-030-4

PRODUCT Properties

• Melting point: 202-206 °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
• solubility: Soluble in clear yellow solution 5% in ethanol, dimethyl sulfoxide and methanol.
• pka: 4.44±0.30(Predicted)
• form: Crystalline Powder or Crystals
• color: Off-white to yellow to brown
• BRN: 124132
• InChI: InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
• InChIKey: HCUARRIEZVDMPT-UHFFFAOYSA-N
• SMILES: N1C2=C(C=CC=C2)C=C1C(O)=O
• CAS DataBase Reference: 1477-50-5(CAS DataBase Reference)
• NIST Chemistry Reference: Indole-2-carboxylic acid(1477-50-5)

Description and Uses

Reactant for total synthesis of (±)-dibromophakellin and analogs, synthesis of the pyrrolizidine alkaloid (±)-trachelanthamidine, stereo selective preparation of renieramycin G analogs, preparation of spirooxoindolepyrrolidines via reduction of indole-2-carboxylic acid followed by oxidation, condensation, reduction, amidation and Kharasch radical cyclization, Pd-catalyzed cyclization and N,N?-(pentane)diylbis[indolecarboxamide] and N,N?-[phenylenebis(methylene)]bis[indolecarboxamide] derivatives.

Safety

• Symbol(GHS): GHS06
• Signal word: Warning
• Hazard statements: H301-H311-H315-H319-H335
• Precautionary statements: P261-P280-P301+P310a-P305+P351+P338-P405-P501a
• Hazard Codes: Xn,Xi
• Risk Statements: 36/37/38-21/22
• Safety Statements: 22-24/25
• WGK Germany: 3
• RTECS: NK7882812
• HazardClass: IRRITANT
• HS Code: 29339990