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942-24-5

942-24-5 Structure

942-24-5 Structure
IdentificationMore
[Name]

Methyl indole-3-carboxylate
[CAS]

942-24-5
[Synonyms]

1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER
INDOLE-3-CARBOXYLIC ACID METHYL ESTER
METHYL 1H-INDOLE-3-CARBOXYLATE
METHYL-(3-INDOLCARBOXYLATE)
METHYL INDOLE-3-CARBOXYLATE
RARECHEM AH BS 0112
methyl indoline-3-carboxylate
Methylindole-3-Carboxylate99%
3-Indolecarboxylic acid methyl ester
[EINECS(EC#)]

618-347-7
[Molecular Formula]

C10H9NO2
[MDL Number]

MFCD00189407
[Molecular Weight]

175.18
[MOL File]

942-24-5.mol
Chemical PropertiesBack Directory
[Appearance]

light brown amorphous powder
[Melting point ]

149-152 °C (lit.)
[Boiling point ]

306.47°C (rough estimate)
[density ]

1.1999 (rough estimate)
[refractive index ]

1.5060 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

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

Solid
[pka]

15.42±0.30(Predicted)
[color ]

Light Pink
[Water Solubility ]

Slightly soluble methanol and dimethyl sulfoxide. Insoluble in water.
[BRN ]

142023
[InChI]

InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3
[InChIKey]

QXAUTQFAWKKNLM-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC=C2)C(C(OC)=O)=C1
[CAS DataBase Reference]

942-24-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H402
[Precautionary statements ]

P501-P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[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 .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

light brown amorphous powder
[Uses]

Methyl indole-3-carboxylate is a reagent in the preaparation of oncrasin-1 derivatives which is a novel inhibitor of the C-terminal domain of RNA polymerase II.
[Definition]

ChEBI: Methyl indole-3-carboxylate is the methyl ester of indole-3-carboxylic acid. It has a role as a metabolite. It is a member of indoles and a methyl ester. It is functionally related to an indole-3-carboxylic acid.
[General Description]

Methyl indole-3-carboxylate (3-Methoxycarbonylindole, 3-Carbomethoxyindole, Methyl indolyl-3-carboxylate) has been extracted from the marine Streptomyces sp. 060524. Its crystal structure indicates the presence of inter-molecular N-H…O hydrogen bond. It is also obtained during the isolation of sorazinones A and B from Sorangium cellulosum strain Soce895. It undergoes regioselective dibromination with bromine in acetic acid to afford methyl 5,6-dibromoindole-3-carboxylate.
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl indole-3-carboxylate(942-24-5)MS
Methyl indole-3-carboxylate(942-24-5)1HNMR
Methyl indole-3-carboxylate(942-24-5)13CNMR
Methyl indole-3-carboxylate(942-24-5)IR1
Methyl indole-3-carboxylate(942-24-5)IR2
Methyl indole-3-carboxylate(942-24-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl indole-3-carboxylate, 99%(942-24-5)
[Alfa Aesar]

Methyl indole-3-carboxylate, 99%(942-24-5)
[Sigma Aldrich]

942-24-5(sigmaaldrich)
[TCI AMERICA]

Methyl Indole-3-carboxylate,>98.0%(GC)(942-24-5)
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