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| CAS No.: | 86232-28-2 |
|---|---|
| Name: | 5-CHLORO-2 3-DIMETHOXYBENZALDEHYDE 97 |
| Molecular Structure: | |
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|
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| Formula: | C9H9ClO3 |
| Molecular Weight: | 200.622 |
| Synonyms: | o-Veratraldehyde,5-chloro- (7CI);2,3-Dimethoxy-5-chlorobenzaldehyde;5-Chloro-2,3-dimethoxybenzaldehyde; |
| Density: | 1.245 g/cm3 |
| Melting Point: | 96-100 °C(lit.) |
| Boiling Point: | 297.1 °C at 760 mmHg |
| Flash Point: | 128.6 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 35.53000 |
| LogP: | 2.16970 |
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- Total:19 Page 1 of 1 1
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Specification
The 5-Chloro-2,3-dimethoxybenzaldehyde with the CAS number 86232-28-2 is also called Benzaldehyde,5-chloro-2,3-dimethoxy-. Its molecular formula is C9H9ClO3. This chemical belongs to the following product categories: (1)Aldehydes; (2)C9; (3)Carbonyl Compounds.
The properties of the 5-Chloro-2,3-dimethoxybenzaldehyde are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 52.46; (6)ACD/BCF (pH 7.4): 52.46; (7)ACD/KOC (pH 5.5): 592.44; (8)ACD/KOC (pH 7.4): 592.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 51.25 cm3; (15)Molar Volume: 161 cm3; (16)Polarizability: 20.32×10-24cm3; (17)Surface Tension: 38.6 dyne/cm; (18)Enthalpy of Vaporization: 53.69 kJ/mol; (19)Vapour Pressure: 0.00138 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact 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: Clc1cc(c(OC)c(OC)c1)C=O
(2)InChI: InChI=1/C9H9ClO3/c1-12-8-4-7(10)3-6(5-11)9(8)13-2/h3-5H,1-2H3
(3)InChIKey: FIRVUYUWCDJOMJ-UHFFFAOYAL