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5-Chloro-2,3-dimethoxybenzaldehyde

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Name

5-Chloro-2,3-dimethoxybenzaldehyde

EINECS N/A
CAS No. 86232-28-2 Density 1.245 g/cm3
PSA 35.53000 LogP 2.16970
Solubility N/A Melting Point 96-100 °C(lit.)
Formula C9H9ClO3 Boiling Point 297.1 °C at 760 mmHg
Molecular Weight 200.622 Flash Point 128.6 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 86232-28-2 (5-CHLORO-2 3-DIMETHOXYBENZALDEHYDE  97) Hazard Symbols IrritantXi
Synonyms

o-Veratraldehyde,5-chloro- (7CI);2,3-Dimethoxy-5-chlorobenzaldehyde;5-Chloro-2,3-dimethoxybenzaldehyde;

Article Data 4

5-Chloro-2,3-dimethoxybenzaldehyde 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

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