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CAS No.: | 27104-73-0 |
---|---|
Name: | Methyl 3-isoquinolinecarboxylate |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C11H9NO2 |
Molecular Weight: | 187.198 |
Synonyms: | Methyl isoquinoline-3-carboxylate;3-(Methoxycarbonyl)isoquinoline;Methyl 3-isoquinolinecarboxylate; |
EINECS: | -0 |
Density: | 1.21 g/cm3 |
Melting Point: | 84-88 ºC |
Boiling Point: | 344.6 °Cat760mmHg |
Flash Point: | 162.2 °C |
Appearance: | Cream powder |
Hazard Symbols: | |
Risk Codes: | R36/37/38 |
Safety: | S26;S37/39 |
PSA: | 39.19000 |
LogP: | 2.02140 |
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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
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.
Hazard Codes: Xi
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
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.