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771-50-6

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Identification

Name
3-Indoleformic acid
CAS
771-50-6
Synonyms
1H-INDOLE-3-CARBOXYLIC ACID
3-CARBOXYINDOLE
3-INDOLECARBOXYLIC ACID
3-Indoleformic acid
3-INDOLYLCARBOXYLIC ACID
INDOLE-3-CARBOXYLIC ACID
RARECHEM AL BO 0353
TIMTEC-BB SBB003952
Indole-3-carboxylie acid
IndolecarboxylicAcid
INDOLECARBOXYLIC ACID 98%
3-Indoleformic
INDOLE-3-CARBOXYLIC ACID pure
Indole-3-carboxylic acid ,99%
EINECS(EC#)
212-231-6
Molecular Formula
C9H7NO2
MDL Number
MFCD00005624
Molecular Weight
161.16
MOL File
771-50-6.mol

Chemical Properties

Appearance
light beige powder
Melting point 
232-234 °C (dec.)(lit.)

mp 
232-234 °C (dec.)(lit.)

Boiling point 
287.44°C (rough estimate)
density 
1.2480 (rough estimate)
refractive index 
1.5050 (estimate)
storage temp. 
2-8°C
solubility 
Soluble in 95% Ethanol: 50 mg/ml, also soluble in methanol.
form 
Powder
pka
3.90±0.10(Predicted)
color 
Light beige
BRN 
129435
InChIKey
KMAKOBLIOCQGJP-UHFFFAOYSA-N
CAS DataBase Reference
771-50-6(CAS DataBase Reference)

Safety Data

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 .
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, 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

RTECS 
NK7882892
Hazard Note 
Irritant
HazardClass 
IRRITANT
HS Code 
29339900

Raw materials And Preparation Products

Hazard Information

Chemical Properties
light beige powder
Uses
Indole-3-carboxylic acid is used as a raw material in synthesis. The structures of the derivatives of indole-3-carboxylic acid were studied using gas chromatography with high resolution mass spectrometry (GC-HRMS), ultra-high performance liquid chromatography in combination with high resolution tandem mass spectrometry (UHPLC-HRMS), nuclear magnetic resonance spectroscopy (NMR) and Fourier transform infrared spectroscopy. Reactant for preparation of: Anticancer agents, Derivatives of amino acids and peptides, Serotonin 5-HT4 receptor antagonists, Primary acylureas, Inhibitors of Gli1-mediated transcription in the Hedgehog pathway, Serotonin 5-HT6 antagonists, Very Late Antigen-4 (VLA-4) sntagonists, EphB3 receptor tyrosine kinase inhibitors, Potential Therapeutic Agent for Alzheimer?s Disease, Vinyl ester pseudotripeptide proteasome inhibitors
Definition
ChEBI: An indole-3-carboxylic acid carrying a carboxy group at position 3.
General Description
The structures of the derivatives of indole-3-carboxylic acid were studied using gas chromatography with high resolution mass spectrometry (GC-HRMS), ultra-high performance liquid chromatography in combination with high resolution tandem mass spectrometry (UHPLC-HRMS), nuclear magnetic resonance spectroscopy (NMR) and Fourier transform infrared spectroscopy (FT-IR).

Spectrum Detail

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