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| CAS No.: | 73568-26-0 |
|---|---|
| Name: | 2-CHLORO-8-METHYL-3-QUINOLINE CARBOXALDEHYDE |
| Article Data: | 51 |
| Molecular Structure: | |
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| Formula: | C11H8ClNO |
| Molecular Weight: | 205.644 |
| Synonyms: | 2-Chloro-3-formyl-8-methylquinoline;2-Chloro-8-methyl-3-quinolinecarbaldehyde;2-Chloro-8-methylquinoline-3-carboxaldehyde; |
| Density: | 1.312 g/cm3 |
| Melting Point: | 138-141 ºC |
| Boiling Point: | 350.8 ºC at 760 mmHg |
| Flash Point: | 166 ºC |
| Appearance: | Yellow to yellow-brown crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 29.96000 |
| LogP: | 3.00910 |
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Specification
The 3-Quinolinecarboxaldehyde,2-chloro-8-methyl-, with the CAS registry number 73568-26-0, is also known as 2-Chloro-8-methyl-3-quinolinecarboxaldehyde. It belongs to the product categories of Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Quinolines; Quinolines Heterocyclic Building Blocks. This chemical's molecular formula is C11H8ClNO and molecular weight is 205.64. What's more, its systematic name is called 2-Chloro-8-methylquinoline-3-carbaldehyde. It is yellow to yellow-brown crystalline powder.
Physical properties about 3-Quinolinecarboxaldehyde,2-chloro-8-methyl- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 29.96 Å2; (7)Index of Refraction: 1.672; (8)Molar Refractivity: 58.65 cm3; (9)Molar Volume: 156.6 cm3; (10)Surface Tension: 53.5 dyne/cm; (11)Density: 1.312 g/cm3; (12)Flash Point: 166 °C; (13)Enthalpy of Vaporization: 59.55 kJ/mol; (14)Boiling Point: 350.8 °C at 760 mmHg; (15)Vapour Pressure: 4.28E-05 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc2cccc(c2nc1Cl)C
(2) InChI: InChI=1/C11H8ClNO/c1-7-3-2-4-8-5-9(6-14)11(12)13-10(7)8/h2-6H,1H3
(3) InChIKey: YPBRSXNRWFUUOE-UHFFFAOYAQ