2,4-Dichlorophenol

2,4-Dichlorophenol (2,4-DCP) is a chlorinated derivative of phenol with the molecular formula Cl2C6H3OH. It is a white solid that is mildly acidic (pKa = 7.9). It is produced on a large scale as a precursor to the herbicide 2,4-dichlorophenoxyacetic acid (2,4-D).

2,4-Dichlorophenol
Names
Preferred IUPAC name
2,4-Dichlorophenol
Identifiers
3D model (JSmol)
742467
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.004.027
EC Number
  • 204-429-6
261170
KEGG
PubChem CID
RTECS number
  • SK8575000
UNII
UN number 2020
  • InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H Y
    Key: HFZWRUODUSTPEG-UHFFFAOYSA-N Y
  • InChI=1/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
    Key: HFZWRUODUSTPEG-UHFFFAOYAU
SMILES
  • Clc1cc(Cl)c(O)cc1
Properties
C6H4Cl2O
Molar mass 163.00 g·mol−1
Appearance White solid
Odor Phenolic
Density 1.38 g/cm3
Melting point 43.2 °C (109.8 °F; 316.3 K)
Boiling point 210 °C (410 °F; 483 K)
50 g/L
Thermochemistry
Std enthalpy of
formation (ΔfH⦵298)
 −226.4 kJ·mol−1 (s)
−156.3 kJ·mol−1 (gas)
Hazards
GHS labelling:
Danger
H302, H311, H314, H411
P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P361, P363, P391, P405, P501
NFPA 704 (fire diamond)
0
1
0
COR
Flash point 114 °C (237 °F; 387 K)
Lethal dose or concentration (LD, LC):
LD50 (median dose)
 47.0 mg/kg (oral in rats)
790.0 mg/kg (Dermal exposure in mammals)
Safety data sheet (SDS) External MSDS
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references
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