CAS 106-48-9 MFCD00002318-4-Chlorophenol 对氯苯酚 TAO{mole}

4-Chlorophenol 对氯苯酚

CAS 106-48-9 MFCD00002318

化学结构图

SMILES: Oc1ccc(Cl)cc1

化学属性

Mol. Formula	C6H5ClO
Mol. Weight	128.56
Density	1.26
Boiling Point	220
Melting Point	41-45
Flash Point	115.56°C
TSCA	Yes
Vapor Pressure	1 mmHg ( 49.8 °C)
Solubility	溶于水、乙醇、醚、苯。
Refractive index	1.5579
Stability	易吸潮，对光敏感

别名和识别编码

Chemical Name	4-Chlorophenol
CAS Number	106-48-9
EC Number	203-402-6
Beilstein Registry Number	507004
MDL Number	MFCD00002318
PubChem Substance ID	4684
Reaxys-RN	507004
Merck Number	2154
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 Notation	QR DG
LabNetwork Molecule ID	LN00196230
InChI	InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
Canonical SMILES	ClC1=CC=C(O)C=C1

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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。

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