对氯苯酚

对氯苯酚用途

【用途一】
用于显微镜分析
【用途二】
用于合成染料中性艳绿BL、医药安妥明及农药等，也可用作精制矿物油的溶剂
【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。
【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。
【用途五】
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。用于ICP-AES、AAS、AFS、ICP-MS、离子色谱等。滴定分析用标准溶液。

对氯苯酚名称

[ CAS 号 ]:
106-48-9

[ 中文名 ]:
4-氯苯酚

[ 英文名 ]:
4-Chlorophenol

[中文别名 ]:

[英文别名 ]:

Phenol,p-chloro
Phenol,4-chloro
Applied 3-78
MFCD00002318
4-Chloro-1-hydroxybenzene
p-chlorophenol
p-hydroxychlorobenzene
1-Chloro-4-hydroxybenzene
4-chloro-phenol
4-Monochlorophenol

对氯苯酚物理化学性质

[ 密度 ]:
1.3±0.1 g/cm3

[ 沸点 ]:
220 ºC

[ 熔点 ]:
40-45 °C(lit.)

[ 分子式 ]:
C₆H₅ClO

[ 分子量 ]:
128.556

[ 闪点 ]:
121 ºC

[ 精确质量 ]:
128.002899

[ PSA ]:
20.23000

[ LogP ]:
2.43

[ 外观性状 ]:
灰白色至淡黄褐色的晶体或粉末

[ 蒸汽压 ]:
0.1±0.4 mmHg at 25°C

[ 折射率 ]:
1.576

[ 储存条件 ]:
库房通风低温干燥,与氧化剂、食品添加剂分开存放

[ 稳定性 ]:
Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents, iron.

[ 水溶解性 ]:
2.7 g/100 mL (20 ºC)

对氯苯酚MSDS

详细MSDS(安全技术说明书)

对氯苯酚毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SK2800000

CHEMICAL NAME :: Phenol, p-chloro-

CAS REGISTRY NUMBER :: 106-48-9

LAST UPDATED :: 199710

DATA ITEMS CITED :: 29

MOLECULAR FORMULA :: C6-H5-Cl-O

MOLECULAR WEIGHT :: 128.56

WISWESSER LINE NOTATION :: QR DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Human

DOSE/DURATION :: 10 gm/m3/8H

TOXIC EFFECTS :: Behavioral - excitement Behavioral - irritability Nutritional and Gross Metabolic - other changes

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 670 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 11 mg/m3

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1500 mg/kg

TOXIC EFFECTS :: Behavioral - muscle contraction or spasticity Skin and Appendages - corrosive (after topical exposure)

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 281 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - body temperature increase

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

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 625 mg/kg

TOXIC EFFECTS :: Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

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

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3200 mg/m3/2H

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Lungs, Thorax, or Respiration - other changes Liver - other changes

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 332 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2 mg/m3/6H/17W-I

TOXIC EFFECTS :: Nutritional and Gross Metabolic - other changes

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 24 ug/m3/24H/17W-I

TOXIC EFFECTS :: Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

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

MUTATION DATA

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 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-POLAND:TWA 1 mg/m3 JAN 1993 OEL-RUSSIA:STEL 1 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84588 No. of Facilities: 185 (estimated) No. of Industries: 4 No. of Occupations: 19 No. of Employees: 4844 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84588 No. of Facilities: 200 (estimated) No. of Industries: 6 No. of Occupations: 5 No. of Employees: 2796 (estimated) No. of Female Employees: 1865 (estimated)

对氯苯酚安全信息

[ 符号 ]:

GHS07, GHS09

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302 + H312 + H332-H411

[ 警示性声明 ]:
P261-P280-P301 + P312 + P330

[ 个人防护装备 ]:
Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xn:Harmful

[ 风险声明 (欧洲) ]:
R20/21/22;R51/53

[ 安全声明 (欧洲) ]:
S28-S61-S28A-S24/25

[ 危险品运输编码 ]:
UN 2020 6.1/PG 3

[ WGK德国 ]:
2

[ RTECS号 ]:
SK2800000

[ 包装等级 ]:
III

[ 危险类别 ]:
6.1

[ 海关编码 ]:
2908191000

对氯苯酚合成路线

详细合成路线

对氯苯酚上下游产品

对氯苯酚上游产品

对氯苯酚下游产品

对氯苯酚制备

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。

对氯苯酚海关

[ 海关编码 ]: 2908191000

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
HS: 2908191000. 4-chlorophenol. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tarrif:4.0%. general tariff:11.0%

对氯苯酚文献

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

J. Med. Chem. 48 , 3269-79, (2005)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...

Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.

J. Med. Chem. 48 , 7234-42, (2005)

In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspas...

更多文献