4-Chlorophenol 对氯苯酚

CAS 106-48-9 MFCD00002318

化学结构图

106-48-9
SMILES: Oc1ccc(Cl)cc1

化学属性

Mol. FormulaC6H5ClO
Mol. Weight128.56
Density1.26
Boiling Point220
Melting Point41-45
Flash Point115.56°C
TSCAYes
Vapor Pressure1 mmHg ( 49.8 °C)
Solubility溶于水、乙醇、醚、苯。
Refractive index1.5579
Stability易吸潮,对光敏感

别名和识别编码

Chemical Name4-Chlorophenol
CAS Number106-48-9
EC Number203-402-6
Beilstein Registry Number507004
MDL NumberMFCD00002318
PubChem Substance ID4684
Reaxys-RN507004
Merck Number2154
Synonym 4-chlorophenol {LY} 4-chlorophenol 4-氯-1-羟基苯 4-氯苯酚 4-氯苯酚 溶液 4-氯苯酚, 99+% 4-氯苯酚;对氯酚;4-氯-1-羟基苯;4-羟基氯苯;对羟基氯苯; 4-氯酚 4-羟基氯苯 AKOS BBS-00004332 Applied 3-78 CHLOROPHENOL(4-) P-CHLOROPHENOL P-氯苯酚 PARA CHLORO PHENOL Phenol, 4-chloro- applied3-78 chlorophenols,solid p-Chlorfenol p-Chlorophenic acid p-Chlorophenol p-chlorfenol(czech) p-chloro-pheno p-chlorophenicacid {} {LY} 4-chlorophenol {} {} {LY} 4-chlorophenol {} {} {} {LY} 4-chlorophenol {} {} {} {} {LY} 4-chlorophenol {} {} {} {} {} { {} {} {} {} {} {LY} 4-chlorophenol {} {} {} {} {} {} {LY} 4-chlorophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-chlorophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-chl
Chemical Name Translation对氯苯酚
Wiswesser Line NotationQR DG
LabNetwork Molecule IDLN00196230
InChIInChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
Canonical SMILESClC1=CC=C(O)C=C1
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分类

  • {SA} Alpha sort, Alphabetic, Analytical Standards, Analytical/Chromatography, C, CH, Chromatography, Environmental Standards, Pesticides & Metabolites
  • {SNA} Alphabetical Index of Analytical Standards, APIs & Metabolites, APIs (Active Pharmaceutical Ingredients) & Metabolites, All alphabetically sorted, Alpha Sort, Analytical Standards, Analytical/Chromatography, C,
  • {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {SNA} APIs & Metabolites, APIs (Active Pharmaceutical Ingredients) & Metabolites, All alphabetic

产品应用

  • 显微镜分析,医药及染料中间体,酒精变性剂,溶剂。本品主要用于农药;医药;染料;塑料等工业,亦用作乙醇变色剂;精炼矿物油选择性溶剂;显微分析等;农业工业主要用于合成粉锈宁;味菌酮;羊毛杀菌剂;防落素;丙虫磷;毒鼠磷;杀虫剂等,用于制造农药杀菌剂5,5'二氯-2,2'二羟基二苯甲烷和植物生长促进剂;染料工业用于制1,4-二羟基蒽醌,1,4-二氨基蒽醌,对氨基酚和氢醌等;医药工业用于羧化制5-氯-2-羟基苯甲酸钠,合成对氯苯氧异丁酸以及其他药物;还用于合成抗氧剂BHA(丁基羟基茴香醚)等。

相关文献及参考

  • Merck:14,2154
  • Merck:14,2154 Beilstein:6,186
  • The low yields typically experienced in the Reimer-Tiemann formylation of phenols (see Chloroform, L13200) can be improved by sonication. Thus the yield of 5-chloro-2-hydroxybenzaldehyde is raised from 41% to 84%: Synth. Commun., 20, 609 (1990).

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H332 Harmful if inhaled 吸入有害
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H302+H312+H332
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US) dust mask type N95 (US), Eyeshields, Gloves Eyeshields, Gloves
Hazard Codes 6.1 Xn,N Xn;N
RTECSSK2800000
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P330+P331+P310
  • P302+P352
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
UN Number 2020
Safety Statements
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R51/53
Storage condition 2-8°C {LY} 2-8°C Air Sensitive {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Packing GroupIII
Hazard Class6.1
Warnings 危化品目录(2015)
TYPE OF TEST            : TCLo - Lowes

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 605 mg/kg
TOXIC EFFECTS :
   Autonomic Nervous System - other (direct) parasympathomimetic
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 54(1),68,1989

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1030 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 2,76,1943

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 367 mg/kg
TOXIC EFFECTS :
   Behavioral - excitement
   Behavioral - coma
REFERENCE :
   ZKMAAX Zhurnal Eksperimental'noi i Klinicheskoi Meditsiny.  Journal of
   Experimental and Clinical Medicine.  (V/O Mezhdunarodnaya Kniga, 113095
   Moscow, USSR)  V.2-    1962-  Volume(issue)/page/year: 25,339,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 81 mg/kg
REFERENCE :
   ZKMAAX Zhurnal Eksperimental'noi i Klinicheskoi Meditsiny.  Journal of
   Experimental and Clinical Medicine.  (V/O Mezhdunarodnaya Kniga, 113095
   Moscow, USSR)  V.2-    1962-  Volume(issue)/page/year: 25,339,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 ug/plate
REFERENCE :
   TECSDY Toxicological and Environmental Chemistry.  (Gordon & Breach Science
   Pub. Inc., 1 Park Ave., New York, NY 10016)  V.3(3/4)-    1981-
   Volume(issue)/page/year: 14,143,1987

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 200 ug/plate
REFERENCE :
   PCBPBS Pesticide Biochemistry and Physiology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1971-  Volume(issue)/page/year:
   10,174,1979

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 760 ug/m3/24H
SEX/DURATION            : male 17 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 57(7-8),9,1992

Restrict 危险品

其他信息

  • 方法一:本品有多种制法,主要有如下几种:1.苯酚直接氯化法以苯酚为原料,按所用的氯化剂和溶剂的不同,分为下面三种方法:(1)氯化硫酰法将苯酚加热熔化后,降温至40℃,慢慢加入氯化硫酰,约需40-45min加完,再搅拌4h,升温至30-40℃保温4h,40-45℃保温4h,反应尾气用碱液吸收,反应毕冷至室温,用水、10%碳酸钠溶液、水依次洗涤,减压蒸馏,收集110-115℃(2.67kPa)馏分得对氯酚。该法对氯苯酚产率较高,达70%-75%。同时有25-30%的副产邻氯酚生成。每吨对氯酚消耗苯酚约1000kg,氯化硫酰约2000kg。(2)苯溶剂法以苯为溶剂,氯气为氯化剂,由苯酚直接氯化制得本品。(3)无溶剂氯化法采用铁、溴等为催化剂,将氯气通入熔融苯酚,直接氯化而制得一氯苯酚。反应液经洗涤后,进行减压蒸馏,收集对氯苯酚含量≥95%馏分。以苯酚计收率(邻/对位合计)≥95%,以氯计收率95%,对/邻位比为3-4,产品含量≥98%。原料消耗定额:苯酚0.77t/t、氯气0.58t/t。副产氯化氢0.28t/t。2.对氯苯水解法以对二氯苯为原料,用水或醇或苯为溶剂制得。3.由苯酚钠氯化而得邻、对氯酚和2,4-二氯苯酚混合的氯化液。减压分馏,收集85-132℃(2.0kPa)高沸点馏分,将其冷至10℃以下,则析出对氯苯酚,分离即得。收率约为25%。4.由对氨基苯酚经重氮化、氯化亚铜置换而得。5.由对氯苯胺经重氮化、水解、消除而得。
  • 灭火剂:二氧化碳、泡沫、砂土、雾状水。
  • 刺激数据:皮肤-兔子2 毫克/24小时 中度; 眼睛-兔子0.25 毫克/24小时 重度
  • 用途三:本品主要用于农药、医药、染料、塑料等工业,亦用作乙醇变色剂、精炼矿物油选择性溶剂、显微分析等;农业工业主要用于合成粉锈宁、味菌酮、羊毛杀菌剂、防落素、丙虫磷、毒鼠磷、杀虫剂等,用于制造农药杀菌剂5,5'二氯-2,2'二羟基二苯甲烷和植物生长促进剂;染料工业用于制1,4-二羟基蒽醌,1,4-二氨基蒽醌,对氨基酚和氢醌等;医药工业用于羧化制5-氯-2-羟基苯甲酸钠,合成对氯苯氧异丁酸以及其他药物;还用于合成抗氧剂BHA(丁基羟基茴香醚)等。
  • 4-氯苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80035060 4-氯苯酚 100ml 29元 2011/08/23 80035026 4-氯苯酚 100ml 29元 2011/04/16 C0243 4-氯苯酚 4-Chlorophenol 25G
  • 上游原料:苯酚 --> 磺酰氯 --> 2,4-二氯酚 --> 2-氯苯酚 --> 对二氯苯
  • 防护措施:毒性强烈。经皮肤吸收或吸入、吞咽本品后呈现高的毒性,对生物体组织有强烈刺激性。大鼠经口LD50为670mg/kg。吞咽后,需立即洗胃。溅着皮肤后,应用大量水冲洗。车间应通风良好。生产设备要密闭,防止跑、冒、滴、漏。操作人员应配戴好防护用具。
  • 敏感性:Air Sensitive
  • 用途四:显微镜分析,医药及染料中间体,酒精变性剂,溶剂。本品主要用于农药;医药;染料;塑料等工业,亦用作乙醇变色剂;精炼矿物油选择性溶剂;显微分析等;农业工业主要用于合成粉锈宁;味菌酮;羊毛杀菌剂;防落素;丙虫磷;毒鼠磷;杀虫剂等,用于制造农药杀菌剂5,5'二氯-2,2'二羟基二苯甲烷和植物生长促进剂;染料工业用于制1,4-二羟基蒽醌,1,4-二氨基蒽醌,对氨基酚和氢醌等;医药工业用于羧化制5-氯-2-羟基苯甲酸钠,合成对氯苯氧异丁酸以及其他药物;还用于合成抗氧剂BHA(丁基羟基茴香醚)等。
  • 图谱信息:4-氯苯酚(106-48-9)核磁图( 13 CNMR) 4-氯苯酚(106-48-9)红外图谱(IR3) 4-氯苯酚(106-48-9)红外图谱(IR1) 4-氯苯酚(106-48-9)Raman光谱 4-氯苯酚(106-48-9)核磁图( 1 HNMR) 4-氯苯酚(106-48-9)质谱(MS) 4-氯苯酚(106-48-9)红外图谱(IR2)
  • 职业标准:TWA 1 毫克/立方米
  • 对空气敏感,易溶于醇、醚、甘油、氯仿、不挥发油和挥发油,微溶于水和石蜡。低毒,半数致死量(大鼠,经口)6
  • F:10-23
  • 用途二:用于合成染料中性艳绿BL、医药安妥明及农

系列性分类