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| CAS No.: | 82477-61-0 |
|---|---|
| Name: | 2-CHLORO-4,6-DIMEHOXYBENZALDEHYDE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C9H9ClO3 |
| Molecular Weight: | 200.622 |
| Synonyms: | 2-Chloro-4,6-dimethoxybenzaldehyde; |
| Density: | 1.245 g/cm3 |
| Melting Point: | 79-80℃ |
| Boiling Point: | 326 °C at 760 mmHg |
| Flash Point: | 144.9 °C |
| PSA: | 35.53000 |
| LogP: | 2.16970 |
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- Total:16 Page 1 of 1 1
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Specification
The Benzaldehyde, 2-chloro-4,6-dimethoxy-, with the CAS registry number 82477-61-0, has the systematic name and IUPAC name of 2-chloro-4,6-dimethoxybenzaldehyde. It should be stored at 2-8°C. And the molecular formula of the chemical is C9H9ClO3.
The characteristics of Benzaldehyde, 2-chloro-4,6-dimethoxy- are as followings: (1)ACD/LogP: 2.81; (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: 20.32×10-24cm3; (11)Surface Tension: 38.6 dyne/cm; (12)Density: 1.245 g/cm3; (13)Flash Point: 144.9 °C; (14)Enthalpy of Vaporization: 56.81 kJ/mol; (15)Boiling Point: 326 °C at 760 mmHg; (16)Vapour Pressure: 0.000222 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1c(OC)cc(OC)cc1Cl
(2)InChI: InChI=1/C9H9ClO3/c1-12-6-3-8(10)7(5-11)9(4-6)13-2/h3-5H,1-2H3
(3)InChIKey: WNIGZICIZZIUER-UHFFFAOYAK