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Basic Information
CAS No.: 50820-65-0
Name: Methyl indole-6-carboxylate
Article Data: 44
Molecular Structure:
Molecular Structure of 50820-65-0 (Methyl indole-6-carboxylate)
Formula: C10H9NO2
Molecular Weight: 175.187
Synonyms: methyl 1H-indole-6-carboxylate;Indole-6-carboxylic acid methyl ester;Methyl 6-indolecarboxylate;Methyl indole-6-carboxylic acid;
EINECS: -0
Density: 1.253 g/cm3
Melting Point: 76-80 °C(lit.)
Boiling Point: 331.7 °C at 760 mmHg
Flash Point: 154.4 °C
Appearance: Off-white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 42.09000
LogP: 1.95450
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    Methyl Indole-6-Carboxylate

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Chemistry

Molecular Structure of Methyl indole-6-carboxylate (CAS NO.50820-65-0):

IUPAC Name: Methyl 1H-indole-6-carboxylate
Canonical SMILES: COC(=O)C1=CC2=C(C=C1)C=CN2
InChI: InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
InChIKey: AYYOZKHMSABVRP-UHFFFAOYSA-N
Molecular Weight: 175.18396 [g/mol]
Molecular Formula: C10H9NO2
XLogP3: 2.5
H-Bond Donor: 1
H-Bond Acceptor: 2 
Index of Refraction: 1.639
Molar Refractivity: 50.3 cm3
Molar Volume: 139.7 cm3
Surface Tension: 52.1 dyne/cm
Density: 1.253 g/cm3
Flash Point: 154.4 °C
Enthalpy of Vaporization: 57.44 kJ/mol
Boiling Point: 331.7 °C at 760 mmHg
Vapour Pressure: 0.000153 mmHg at 25 °C
Appearance: Off-white crystalline powder
Melting Point: 76-80 °C(lit.)
Product Categories: blocks; Carboxes; IndolesOxindoles; Indole / indoline / oxindole; Indole and Indoline; Acids and Derivatives; Heterocycles; Indoles and derivatives; Indole; Heterocyclic Compounds; Indole Derivatives; Boronic Acid; Building Blocks; Heterocyclic Building Blocks; Indoles

Uses

 Methyl indole-6-carboxylate (CAS NO.50820-65-0) is used as an indole compound for treating pain, inflammation and other conditions.

Safety Profile

Safety Information of Methyl indole-6-carboxylate (CAS NO.50820-65-0):
Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT

Specification

 Methyl indole-6-carboxylate (CAS NO.50820-65-0), its Synonyms are 6-Indolecarboxylic acid methyl ester ; Methyl indole-6-carboxylic acid ; Indole-6-carboxylic acid methyl ester .