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16136-58-6

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Basic Information
CAS No.: 16136-58-6
Name: 1-Methylindole-2-carboxylic acid
Article Data: 34
Molecular Structure:
Molecular Structure of 16136-58-6 (1-Methylindole-2-carboxylic acid)
Formula: C10H9NO2
Molecular Weight: 175.187
Synonyms: Indole-2-carboxylicacid, 1-methyl- (6CI,7CI,8CI);1-Methyl-1H-indole-2-carboxylic acid;N-Methyl-2-indolecarboxylic acid;
EINECS: 218-202-4
Density: 1.24 g/cm3
Melting Point: 212-213 °C
Boiling Point: 389 °C at 760 mmHg
Flash Point: 189 °C
Appearance: Beige crystalline powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 22-36/37/38
Safety: 26
PSA: 42.23000
LogP: 1.87650
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Chemistry

Molecular Structure of 1-Methylindole-2-carboxylic acid (CAS NO.4175-77-3):

IUPAC Name: 1-methylindole-2-carboxylic acid 
Empirical Formula: C10H9NO2
Molecular Weight: 175.184
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 31.23 Å2
Index of Refraction: 1.612
Molar Refractivity: 49 cm3
Molar Volume: 140.9 cm3
Surface Tension: 46.8 dyne/cm
Flash Point: 189 °C
Enthalpy of Vaporization: 67.32 kJ/mol
Boiling Point: 389 °C at 760 mmHg
Vapour Pressure: 9.54E-07 mmHg at 25°C
Index of Refraction: 1.612
Density: 1.24 g/cm3
Melting Point: 212-213 °C
Form: Beige crystalline powder
Product Categories: Indoles and derivatives; Organic acids; Building Blocks; Heterocyclic Building Blocks;Indoles

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 885, 1976.

Safety Profile

Safety information of 1-Methylindole-2-carboxylic acid (CAS NO.4175-77-3):
Hazard Codes: HarmfulXn,IrritantXi
Risk Statements: 22-36/37/38
R22: Harmful if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin 
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
WGK Germany: 3
RTECS: NL6012400

Specification

  1-Methylindole-2-carboxylic acid , with CAS number of 4175-77-3, can be called 1-Methyl-1H-indole-2-carboxylic acid ; Indole-2-carboxylicacid, 1-methyl- (6CI,7CI,8CI) . It is a beige crystalline powder.