4-Chloro-2-methylphenol

4-Chloro-2-methylphenol Basic information
Product Name:4-Chloro-2-methylphenol
Synonyms:5-CHLORO-2-HYDROXYTOLUENE;4-CHLORO-O-CRESOL;4-CHLORO-2-METHYLPHENOL;4-CHLORO-2-CRESOL;4-chloro-2-methyl-pheno;4-chloro-o-creso;ai3-24520;o-Cresol, 4-chloro-
CAS:1570-64-5
MF:C7H7ClO
MW:142.58
EINECS:216-381-3
Product Categories:Phenol&Thiophenol&Mercaptan;Phenoles and thiophenoles;Biocides;Chlorine Compounds;Phenols
Mol File:1570-64-5.mol
4-Chloro-2-methylphenol Structure
4-Chloro-2-methylphenol Chemical Properties
Melting point 43-46 °C(lit.)
alpha 22 º (c=8,6N HCl)
Boiling point 220-225 °C(lit.)
density 1.20
vapor pressure 26.66Pa at 19.85℃
refractive index 1.5449 (estimate)
Fp >230 °F
storage temp. Inert atmosphere,Room Temperature
form neat
pka9.87±0.18(Predicted)
color white to brown
Water Solubility <0.1 g/100 mL at 15 ºC
BRN 1906684
InChIKeyRHPUJHQBPORFGV-UHFFFAOYSA-N
LogP3.09 at 20℃
CAS DataBase Reference1570-64-5(CAS DataBase Reference)
NIST Chemistry ReferencePhenol, 4-chloro-2-methyl-(1570-64-5)
EPA Substance Registry System4-Chloro-2-methylphenol (1570-64-5)
Safety Information
Hazard Codes T,C,N,Xn
Risk Statements 23-35-50-38-21/22
Safety Statements 26-36/37/39-45-61-28
RIDADR UN 3437 6.1/PG 2
WGK Germany 2
RTECS GO7120000
Hazard Note Toxic/Corrosive
TSCA Yes
HazardClass 6.1
PackingGroup II
HS Code 29081990
Hazardous Substances Data1570-64-5(Hazardous Substances Data)
Toxicitymouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03270,
MSDS Information
ProviderLanguage
4-Chloro-o-cresol English
SigmaAldrich English
ALFA English
4-Chloro-2-methylphenol Usage And Synthesis
Chemical PropertiesOff-white to slightly brownish crystalline solid
Uses4-Chloro-2-methylphenol is a transformation/degredation product of herbicides found in the environment through landfills and runoff.
DefinitionChEBI: A member of the class of phenols that is o-cresol in which the hydrogen para to the hydroxy group is replaced by a chlorine.
Synthesis Reference(s)Tetrahedron Letters, 30, p. 5215, 1989 DOI: 10.1016/S0040-4039(01)93745-1
General DescriptionDark red flakes with waxy texture. Insoluble in water.
Air & Water ReactionsInsoluble in water.
Reactivity Profile4-Chloro-2-methylphenol can react vigorously with concentrated sodium hydroxide solutions. Also reacts with other bases, acid chlorides, acid anhydrides, and oxidizing agents. Corrodes steel, brass, copper and copper alloys [NTP, 1992)]. A large quantity left in contact with concentrated sodium hydroxide solution for 3 days reacted violently, attaining red heat and evolving fumes that ignited explosively. The heat of reaction dissipated poorly because of the high viscosity of the mixture [Quart. Safety Summ., 1957, 28, 39].
Fire Hazard4-Chloro-2-methylphenol is probably combustible.
Flammability and ExplosibilityNonflammable
Purification MethodsPurify the phenol by crystallisation from pet ether (m 51o) and by zone melting. [Beilstein 6 H 359, 6 I 174, 6 II 332, 6 III 1264, 6 IV 1987.]
2-Methyl-4-chlorophenoxyacetic acid 4-CHLORO-2-METHYLBENZOIC ACID 3-Trifluoromethylphenol 3-Ethylphenol 2-Chloro-5-chloromethylpyridine 2,6-Dimethylphenol o-Cresol Difluorochloromethane p-Cresol 5-Chlorosalicylaldehyde 4-Chloro-2-methylphenol 4-CHLORO-2-ISOPROPYL-5-METHYLPHENOL 4-Chloro-3-methylphenol Cresol 2,2'-METHYLENEBIS(4-CHLOROPHENOL) MCPB m-Cresol Xylenol

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