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CAS No.: | 6624-49-3 |
---|---|
Name: | Isoquinoline-3-carboxylic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H7NO2 |
Molecular Weight: | 173.171 |
Synonyms: | 3-Carboxyisoquinoline;3-Isoquinaldic acid;NSC 53385;Isoquinoline-3-carboxylic acid; |
Density: | 1.339 g/cm3 |
Melting Point: | 166-167°C |
Boiling Point: | 366.4 °C at 760 mmHg |
Flash Point: | 175.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 50.19000 |
LogP: | 1.93300 |
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1. Introduction of Isoquinoline-3-carboxylic acid
The Isoquinoline-3-carboxylic acid, with its CAS NO 6624-49-3, is a kind of light yellow crystal. It has synonyms of 3-Carboxyisoquinoline;3-Isoquinaldic acid;NSC 53385 and Isoquinoline-3-carboxylic acid. Isoquinoline-3-carboxylic acid should be stored in shady and cool warehouse and mainly used in organic synthesis.
2.Properties of Isoquinoline-3-carboxylic acid
(1) Molecular Weight: 173.1681 (2) Index of Refraction: 1.684 (3) Molar Refractivity: 49.11 cm3 (4) Molar Volume: 129.3 cm3
(5) Polarizability: 19.47×10-24cm3 (6) Surface Tension: 65.1 dyne/cm (7) Density: 1.339 g/cm3
(8) Flash Point: 175.4 °C (9) Enthalpy of Vaporization: 64.66 kJ/mol (10) Melting Point: 166-167°C
(11) Boiling Point: 366.4 °C at 760 mmHg (12) Vapour Pressure: 5.15E-06 mmHg at 25°C
3.Sturucture descriptors of Isoquinoline-3-carboxylic acid
IUPAC Name: 1H-indene
InChI: InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
InChIKey: YBYIRNPNPLQARY-UHFFFAOYSA-N
Canonical SMILES : C1C=CC2=CC=CC=C21
4.Safety information of Isoquinoline-3-carboxylic acid
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.