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| CAS No.: | 18093-05-5 |
|---|---|
| Name: | 2-Chloroveratraldehyde |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C9H9ClO3 |
| Molecular Weight: | 200.622 |
| Synonyms: | Veratraldehyde,6-chloro- (6CI,7CI,8CI);2-Chloro-4,5-dimethoxybenzaldehyde;4,5-Dimethoxy-2-chlorobenzaldehyde;6-Chloroveratraldehyde;NSC 129825; |
| Density: | 1.245 g/cm3 |
| Melting Point: | 144 °C |
| Boiling Point: | 303.6 °C at 760 mmHg |
| Flash Point: | 132.3 °C |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | R36/37/38 |
| PSA: | 35.53000 |
| LogP: | 2.16970 |
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Specification
The CAS registry number of Benzaldehyde,2-chloro-4,5-dimethoxy- is 18093-05-5. This chemical's molecular formula is C9H9ClO3 and molecular weight is 200.61896. What's more, its systematic name is called 2-Chloro-4,5-dimethoxybenzaldehyde.
Physical properties about Benzaldehyde,2-chloro-4,5-dimethoxy- are: (1)ACD/LogP: 2.63; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 51.25 cm3; (9)Molar Volume: 161 cm3; (10)Polarizability: 20.32×10-24 cm3; (11)Surface Tension: 38.6 dyne/cm; (12)Density: 1.245 g/cm3; (13)Flash Point: 132.3 °C; (14)Enthalpy of Vaporization: 54.39 kJ/mol; (15)Boiling Point: 303.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000923 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc(OC)c(OC)cc1Cl
(2) InChI: InChI=1/C9H9ClO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,1-2H3
(3) InChIKey: KTLBJNXLHDMIRZ-UHFFFAOYAA