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| CAS No.: | 16861-22-6 |
|---|---|
| Name: | 2,3-Dichloro-4-hydroxybenzaldehyde |
| Article Data: | 4 |
| Molecular Structure: | |
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|
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| Formula: | C7H4Cl2O2 |
| Molecular Weight: | 191.014 |
| Synonyms: | 2,3-Dichloro-4-hydroxybenzaldehyde;Benzaldehyde, 2,3-dichloro-4-hydroxy; |
| Density: | 1.548 g/cm3 |
| Melting Point: | 184-185 °C |
| Boiling Point: | 278.629 °C at 760 mmHg |
| Flash Point: | 122.311 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 37.30000 |
| LogP: | 2.51150 |
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- Total:24 Page 1 of 1 1
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Specification
The 2,3-Dichloro-4-hydroxybenzaldehyde, with the cas registry number 16861-22-6, is also called Benzaldehyde, 2,3-dichloro-4-hydroxy. It is a kind of irritant chemical, and belongs to the following product categories: Aldehydes; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. And the molecular formula of the chemical is C7H4Cl2O2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 36.57; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 357.5; (8)ACD/KOC (pH 7.4): 8.27; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 44.67 cm3; (15)Molar Volume: 123.4 cm3; (16)Polarizability: 17.71×10-24cm3; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.547 g/cm3; (19)Flash Point: 122.3 °C; (20)Enthalpy of Vaporization: 53.81 kJ/mol; (21)Boiling Point: 278.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00249 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1c(C=O)ccc(O)c1Cl
(2)InChI: InChI=1/C7H4Cl2O2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-3,11H
(3)InChIKey: GEORDJYJYUGGSO-UHFFFAOYAF