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2,3-Dichloro-4-hydroxybenzaldehyde

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Name

2,3-Dichloro-4-hydroxybenzaldehyde

EINECS N/A
CAS No. 16861-22-6 Density 1.548 g/cm3
PSA 37.30000 LogP 2.51150
Solubility N/A Melting Point 184-185 °C
Formula C7H4Cl2O2 Boiling Point 278.629 °C at 760 mmHg
Molecular Weight 191.014 Flash Point 122.311 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:;
Molecular Structure Molecular Structure of 16861-22-6 (2,3-Dichloro-4-hydroxybenzaldehyde) Hazard Symbols IrritantXi
Synonyms

2,3-Dichloro-4-hydroxybenzaldehyde;Benzaldehyde, 2,3-dichloro-4-hydroxy;

Article Data 4

2,3-Dichloro-4-hydroxybenzaldehyde 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

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