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Methyl 3-isoquinolinecarboxylate

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Name

Methyl 3-isoquinolinecarboxylate

EINECS -0
CAS No. 27104-73-0 Density 1.21 g/cm3
PSA 39.19000 LogP 2.02140
Solubility N/A Melting Point 84-88 ºC
Formula C11H9NO2 Boiling Point 344.6 °Cat760mmHg
Molecular Weight 187.198 Flash Point 162.2 °C
Transport Information N/A Appearance Cream powder
Safety S26;S37/39 Risk Codes R36/37/38   
Molecular Structure Molecular Structure of 27104-73-0 (Methyl 3-isoquinolinecarboxylate) Hazard Symbols
Synonyms

Methyl isoquinoline-3-carboxylate;3-(Methoxycarbonyl)isoquinoline;Methyl 3-isoquinolinecarboxylate;

Article Data 23

Methyl 3-isoquinolinecarboxylate Chemical Properties

IUPAC Name: Methyl isoquinoline-3-carboxylate 
Following is the structure of 3-Isoquinolinecarboxylicacid, methyl ester (CAS NO.27104-73-0):
                      
Empirical Formula: C11H9NO2
Molecular Weight: 187.1947 
Index of Refraction: 1.614
Molar Refractivity: 53.95 cm3
Molar Volume: 154.6 cm3
Density: 1.21 g/cm3
Flash Point: 162.2 °C
Melting point: 86-88 °C
Polarizability: 21.39 10-24cm3
Surface Tension: 49.4 dyne/cm
Enthalpy of Vaporization: 58.86 kJ/mol
Boiling Point: 344.6 °C at 760 mmHg
Vapour Pressure: 6.5E-05 mmHg at 25 °C
Appearance of 3-Isoquinolinecarboxylicacid, methyl ester (CAS NO.27104-73-0): Cream powder 
Product Categories: Esters; Quinolines, Isoquinolines & Quinoxalines; Quinolines, Isoquinolines & Quinoxalines; Building Blocks; Heterocyclic Building Blocks; Isoquinolines
Canonical SMILES: COC(=O)C1=CC2=CC=CC=C2C=N1
InChI: InChI=1S/C11H9NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3
InChIKey: ZBCGBIZQNMVMPC-UHFFFAOYSA-N

Methyl 3-isoquinolinecarboxylate Toxicity Data With Reference

 3-Isoquinolinecarboxylicacid, methyl ester (CAS NO.27104-73-0) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.

Methyl 3-isoquinolinecarboxylate Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin. 
Safety Statements: 26-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant

Methyl 3-isoquinolinecarboxylate Specification

 3-Isoquinolinecarboxylicacid, methyl ester , its cas register number 27104-73-0. It also can be called Methyl 3-isoquinolinecarboxylate ; and Methyl isoquinoline-3-carboxylate . 
 3-Isoquinolinecarboxylicacid, methyl ester (CAS NO.27104-73-0) should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents, acids, bases. And also prevent it to broken down into hazardous decomposition products: Nitrogen oxides, carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported.

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