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Basic Information
CAS No.: 81322-67-0
Name: 5-CHLORO-2-HYDROXY-4-METHYL-BENZALDEHYDE
Molecular Structure:
Molecular Structure of 81322-67-0 (5-CHLORO-2-HYDROXY-4-METHYL-BENZALDEHYDE)
Formula: C9H9ClO2
Molecular Weight: 184.622
Synonyms: Salicylaldehyde,5-chloro-4,6-dimethyl- (7CI);3-Chloro-6-hydroxy-2,4-dimethylbenzaldehyde;5-Chloro-2-hydroxy-4,6-dimethylbenzaldehyde;
Density: 1.281 g/cm3
Melting Point: 89-90 °C
Boiling Point: 272.5 °C at 760 mmHg
Flash Point: 118.6 °C
Hazard Symbols: IrritantXi
Risk Codes: 36
Safety: 26
PSA: 37.30000
LogP: 2.47490
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Specification

The CAS register number of Benzaldehyde,3-chloro-6-hydroxy-2,4-dimethyl- is 81322-67-0. It also can be called as 3-Chloro-6-hydroxy-2,4-dimethyl-benzaldehyde and the systematic name about this chemical is 3-chloro-6-hydroxy-2,4-dimethylbenzaldehyde. The molecular formula about this chemical is C9H9ClO2 and molecular weight is 184.62. It belongs to the following product categories, such as Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde and so on.

Physical properties about Benzaldehyde,3-chloro-6-hydroxy-2,4-dimethyl- are: (1)ACD/LogP: 3.49; (2)ACD/LogD (pH 5.5): 3.49; (3)ACD/LogD (pH 7.4): 3.39; (4)ACD/BCF (pH 5.5): 264.28; (5)ACD/BCF (pH 7.4): 209.46; (6)ACD/KOC (pH 5.5): 1883.25; (7)ACD/KOC (pH 7.4): 1492.57; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3Å2; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 49.43 cm3; (14)Molar Volume: 144 cm3; (15)Polarizability: 19.59x10-24cm3; (16)Surface Tension: 47.6 dyne/cm; (17)Enthalpy of Vaporization: 53.13 kJ/mol; (18)Boiling Point: 272.5 °C at 760 mmHg; (19)Vapour Pressure: 0.00364 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(c(O)cc1C)C=O)C
(2)InChI: InChI=1/C9H9ClO2/c1-5-3-8(12)7(4-11)6(2)9(5)10/h3-4,12H,1-2H3
(3)InChIKey: NXNLQPJNVDGFOE-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H9ClO2/c1-5-3-8(12)7(4-11)6(2)9(5)10/h3-4,12H,1-2H3
(5)Std. InChIKey: NXNLQPJNVDGFOE-UHFFFAOYSA-N