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HCID 14855생성일: 2026년 10월 27일

4-클로로-2-메틸페놀

4-클로로-2-메틸페놀 · 4-클로로-2-크레졸 · 4-클로로-o-크레졸 · 5-클로로-2-하이드록시-톨루엔 · p-클로로-o-크레졸 · 4-CHLORO-O-CRESOL · 97-99℃ · ai3-24520

https://huagongshe.com/ko/chemical/14855

4-클로로-2-메틸페놀 분자 구조식

식별자 및 물리적 특성

CAS No.1570-64-5
분자식C7H7ClO
평균 분자량142.58 g/mol
단동위원소 질량142.01854252 g/mol
SMILESCc1cc(Cl)ccc1O
InChIKeyRHPUJHQBPORFGV-UHFFFAOYSA-N
PubChem CID14855
ChEMBLCHEMBL194121
ChEBICHEBI:1800
EC No.216-381-3
DTXSIDDTXSID5022510
현지명4-클로로-2-메틸페놀

화학 및 물리적 성질

XLogP2.8
극성 표면적20.2
수소 결합 공여자 수1
수소 결합 수용자 수1
회전 가능 결합 수0
무거운 원자 수9
형식 전하0
복잡도94.9
물질 분류Other Classes -> Chlorophenols
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
농약Environmental transformation -> Pesticide transformation products (metabolite, successor)Pesticide degradation product
LogP(분배 계수)log Kow = 2.783.09
냄새Mild, phenolic odor
밀도1.2 g/cu cm0.48 g/cm³1.20
Color/FormNeedles from petroleum etherPale yellow solid
용해도less than 1 mg/mL at 59 °F (NTP, 1992)Sol in petroleum etherIn water, 4.00X10+3 mg/l @ 25 °CSolubility in water, g/100ml at 20 °C: 0.23
인화점greater than 235 °F (NTP, 1992)78 °C>230 °F
Endocrine DisruptorsPotential endocrine disrupting compound
끓는 점432 to 437 °F at 760 mmHg (NTP, 1992)223 °C231 °C220-225 °C(lit.)
DecompositionWhen heated to decomp it emits toxic fumes of /hydrogen chloride/ and phosgene.
녹는점43-46 °C(lit.)
증기압26.66Pa at 19.85℃
굴절률1.5449 (estimate)
저장 조건Inert atmosphere,Room Temperature
pKa(산도 계수)9.87±0.18(Predicted)
물리적 상태crystals
색상흰색에서 갈색으로
용해도15°C에서 <0.1g/100mL
BRN1906684
헨리 상수8.7×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
주요 응용농업환경
InChI1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKeyRHPUJHQBPORFGV-UHFFFAOYSA-N
SMILESCc1cc(Cl)ccc1O
LogP(분배 계수)3.09 at 20℃
NISTPhenol, 4-chloro-2-methyl-(1570-64-5)
EPA4-Chloro-2-methylphenol (1570-64-5)

화학적 성질

Off-white to slightly brownish crystalline solid

안전 및 규제

GHS 분류DangerH314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
규제 정보Chemical: Phenol, 4-chloro-2-methyl-Status: Active Update: 29-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19174-Chloro-2-cresol: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
운송 라벨(DOT)Poison
화재 위험This chemical is probably combustible. (NTP, 1992)
건강 유해성SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
유해성 요약A skin, eye, and mucous membrane irritant[CAMEO] A corrosive substance that can cause injury to the skin and eyes, based on animal studies[CHEMINFO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractCan cause pulmonary edema[ICSC] Chlorocresol causes contact urticaria (both immune and non-immune)[Kanerva, p. 219] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline] See CHLOROPHENOLS. See p-Chloro-m-cresol.
반응성 그룹Phenols and Cresols
EC 분류Symbol: T, C, NR: 23-35-50S: (1/2)-26-36/37/39-45-61
UN 분류UN Hazard Class: 6.1

용도

일반 설명

Dark red flakes with waxy texture. Insoluble in water.

UN Pack Group: II
Special ReportsUSEPAAmbient Water Quality Criteria Doc: Chlorinated Phenols (1980) EPA 440/5-80-032.Nat'l Research Council CanadaChlorinated Phenols (1982) NRCC No. 18578BIBRA working groupTA: Toxicity profile. BIBRA Toxicology Intl: 7 (1992).Gesellschaft Deutscher Chemiker (GDCh) - Advisory Committee on Existing Chemicals of Environmental Relevance (BUA). S. Hirzel Verlag, P.O. Box 10 10 61, 70009 Stuttgart, Germany (1995).
Reactivity ProfileP-CHLORO-O-CRESOL 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].
Chemical DangersDecomposes on burning. This produces toxic and corrosive fumes.
소화Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)Use water spray, foam, dry powder, carbon dioxide.
응급 조치Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer for medical attention .
응급 처치EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
정리 방법Gamma-ray-induced degradation on nonbiodegradable organic compounds is demonstrated on chlorophenols and 4-chlorocresol. The oxidation in aqueous solutions with air at doses up to 1 Mrad results in complete dechlorination. The following organic compounds have been identified in the case of 4-chlorocresol as oxidation products: oxalic acid, formic acid (HCO2H), acetic acid (HOAC), glyoxal, mesoxalic acid, mesoxalic acid semialdehyde.Activated carbon adsorption was used for spill cleanup in the manufacture of chlorinated pesticides, including 4-chloro-2-methylphenol.Activated carbon is a good method for removing chlorophenols from water. Competitive adsorption occurs between chlorophenols and humic substances present in nearly all municipal water supplies. This competition decreases the capacity of carbon for chlorophenols. /Chlorophenols/
비화재 누출 대응SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
처리 방법SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.The environmentally hazardous organic substances /including 4-chloro-2-methylphenol/ in the waste water from the manufacture of chlorophenoxyalkanoic acids were identified and semiquantified before & after passing through a biological treatment plant for municipal sewage, the secondary effluent of which was discharged into a marine ecosystem. The removal of chlorophenols was good, with a 90% overall reduction of chlorinated substances in the sewage passing through the treatment plant.
누출 처리Consult an expert! Personal protection: chemical protection suit including self-contained breathing apparatus. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Do NOT let this chemical enter the environment.
Isolation and EvacuationExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
생태독성 수치LD50 Trout 2.1 mg/l/24 hr (static bioassay)
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), Koc values of 124 to 645(2), indicate that 4-chloro-2-methylphenol is expected to have moderate mobility in soil(SRC). Volatilization of 4-chloro-2-methylphenol from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 1.1X10-6 atm-cu m/mole(3). 4-Chloro-2-methylphenol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.40X10-2 mm Hg(3). 4-Chloro-2-methylphenol was almost completely degraded from 2 natural soils treated at 10 ppm within an 8 week incubation period at 25 °C, while nearly a 90 percent reduction occurred after 4 weeks time(4). At a concentration of 200 and 2000 ppm, 12 weeks were required to achieve an approximate 95 percent reduction of initial substrate(4). 4-Chloro-2-methylphenol was degraded similarly in sandy clay and silty clay soils(5). Half-lives were 21 days in both types of soil at initial concentrations of 10 and 1000 ppm each(5). The first order rate constant for the degradation of 3-methyl-4-chlorophenol was 0.0337 in sandy clay soil and 0.0334 in silty clay soil(5). Thus, 4-chloro-2-methylphenol is expected to biodegrade in soil.AQUATIC FATE: Based on a classification scheme(1), Koc values of 124 to 645(2) indicate that 4-chloro-2-methylphenol is expected to adsorb very little to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1.1X10-6 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 40 days and 290 days, respectively(SRC). According to a classification scheme(6), BCF values ranging from 6.4-28(5) and a regression-derived equation(7) suggest the potential for bioconcentration in aquatic organisms is low(SRC). Chlorinated phenols will undergo photolysis in aqueous solutions as a result of ultraviolet irradiation, and that photodegradation leads to the substitution of hydroxyl groups in place of the chlorine atoms with subsequent polymer formation(8). Degradation rates for 4-chloro-2-methylphenol were 2.8 ug/l/day at an initial concentration of 18 ug/l in a sea water shake flask die-away test and 0.04 ug/l/day at an initial concentration of 3.6 ug/l in a waste water shake flask die-away test(9). Mixed cultures of phenol adapted microorganisms exhibited moderate oxygen uptake as the test concentration of 4-chloro-2-methylphenol was reduced from 80 ppm to 50 ppm over a 3 hour period(10,11). An activated sludge pilot plant was operated at 4, 6, and 9 day sludge ages with the same influent settled sewagehigher concentrations of 4-chloro-2-methylphenol were seen in the effluent from the unit run at a 4 day sludge age(12). Based on these studies, 4-chloro-2-methylphenol is expected to biodegrade in the aquatic environment.ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 4-chloro-2-methylphenol, which has a vapor pressure of 2.40X10-2 mm Hg at 25 deg(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 4-chloro-2-methylphenol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 32 hours(SRC), calculated from its rate constant of 1.2X10-11 cu cm/molecule-sec at 25 °C that was derived using a structure estimation method(3). 4-Chloro-2-methylphenol may undergo direct photolysis due to the absorption of UV light wavelengths above 290 nm(4).
식품 조사 수치4-Chloro-2-methylphenol, a biodegradation product of 2-methyl-4-chlorophenoxyacetic acid (MCPA)(1), was detected upon potatoes, carrots, green salad and onions grown from fields adjacent to a treated railroad bed in Northern Finland at concn of 0.2, 2.9, 52.9, and 593.0 ppb, respectively, 2 wk post application of MCPA(2).
유해 작용Neurotoxin - Other CNS neurotoxin
노출 경로The substance can be absorbed into the body by inhalation, through the skin and by ingestion.
생태독성 발췌/AQUATIC SPECIES/ Trout were exposed to 4-chloro-o-cresol (a metabolite of MCPA) at concentrations of 0.5 or 1.0 ppm for 4 wks. Other fish were exposed to 0.5, 1.0 or 1.5 ppm concentrations for 3 wk periods. Histopathological changes brought about by these exposures were greatest in the gills and kidney. In the gills the changes were remarkable due to lamella telangiectasis in some filaments. It is noted that these changes were not evident in fish kept under 10 and 30 ppm MCPA technical grade solutions./AQUATIC SPECIES/ The acute toxicities of several chlorinated phenols, catechols, and cresols, including 4-chloro-o-cresol, to trout were determined. The cresols were lethal in concentrations of 1-2 ppm./OTHER TERRESTRIAL SPECIES/ The Frog Embryo Teratogenesis Assay-Xenopus (FETAX) has been applied mainly in pharmacology to examine the toxicity of drugs on embryos (mortality, malformation and growth inhibition). The original FETAX methodology has been modified by us using the in vitro fertilization (ivf) and has been applied to ecotoxicological studies. ...In this preliminary study, we have tested chlorocresol (4-chloro-o-cresol), a soil metabolite of the pesticide MCPA (4-chloro-2-methylphenoxy acetic acid). Embryos were exposed to the chlorocresol (40, 30 mg/l of control FETAX solution) during the cleavage phase. This treatment causes a lethality in concentration-dependent manner. Lethality, evaluated at the end of the test (5 days post fertilization), was due to an high frequency of severe malformed embryos not surviving during the test.
Plant Concentrations4-Chloro-2-methylphenol, a biodegradation product of 2-methyl-4-chlorophenoxyacetic acid (MCPA)(1), was detected upon branches sprayed with MCPA, 2 wk post application, at concn of 8900 ppb and upon potatoes, carrots, green salad and onions grown from fields adjacent to a treated railroad bed in Northern Finland at concn of 0.2, 2.9, 52.9, and 593.0 ppb, respectively(2).
Signs and SymptomsCough. Laboured breathing. Shortness of breath. Sore throat. Burning sensation.Skin burns. Pain. Redness.Pain. Redness. Severe deep burns.Abdominal pain. Burning sensation. Shock or collapse. Sore throat.
Effluent Concentrations4-Chloro-2-methylphenol was detected in the wastewater sludge, final effluent, and a soil column simulating sludge disposal upon agricultural lands at a concentration of 0.12 mg/kg of dry solids, less than 5 ng/l, and 217 ng/l, respectively(1). The average concentration of 4-chloro-2-methylphenol detected in sewage treatment effluents in England and Wales in 1995 was 3.1254 ug/l with a frequency of detection of 47.06 percent(2). The concentration of 4-chloro-2-methylphenol detected in leachate from contaminated groundwater below a landfill in Sorup, Denmark ranged from less than 0.001 ug/l to 0.019 ug/l with a mean concentration of 0.005 ug/l(3). 4-Chloro-2-methylphenol was identified in three leachate samples taken from a municipal landfill in Gryta, Vasteras, Sweden(4). This chemical was detected in agrochemical sewage at a concentration of 2400 ug/l and in secondary sewage effluent at a concentration of 4 ug/l(5).
ICSC Environmental DataThe substance is very toxic to aquatic organisms.
Soil Adsorption/MobilityThe Koc values for 4-chloro-2-methylphenol range from 124 to 645(1). According to a classification scheme(2), these Koc values suggest that 4-chloro-2-methylphenol is expected to have moderate mobility in soil.
Fish/Seafood Concentrations2-Methyl-4-chlorophenol was identified in the bile of rainbow trout (Salmo gairdneri) from waters polluted with chlorophenoxyalkanoate herbicides(1).
청정수법 요건The recommended criterion level for 2-methyl-4-chlorophenol is 1,800 ug/l.Toxic pollutant designated pursuant to section 307(a)(1) of the Federal Water Pollution Control Act and is subject to effluent limitations. Chlorinated phenols (includes trichlorophenols and chlorinated cresols)/
수질 위해 등급(WGK)2
TSCA 등재 상태TSCA listed
RTECS 번호GO7120000
운송 번호(UN)UN 3437 6.1/PG 2
독성mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03270,
관세 코드29081990
위험 문구(R)23-35-50-38-21/22
위험 표시T,C,N,Xn
안전 문구(S)26-36/37/39-45-61-28
포장분류II
위험 등급6.1Acute Tox. 3 InhalationAquatic Acute 1Eye Dam. 1Skin Corr. 1
기존화학 물질KE-05760
위험 참고 사항Toxic/Corrosive
저장 분류6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
유해 물질 데이터1570-64-5(Hazardous Substances Data)