CAS: 88-04-0; 4-Chloro-3,5-Dimethylphenol

• 英文名称4-Chloro-3,5-Dimethylphenol
• 中文名称4-氯-3,5-二甲基苯酚
• IUPAC名称4-chloro-3,5-dimethylphenol
• 其它别名Camel; Chloroxylenol (Usan:Usp:Inn:Ban); 5-Dimethylphenol; 2-Chloro-5-Hydroxy-M-Xylene; Antiseptic Hand; Desson; Nipacide Px; Pearlescent; Skin Cleanser; Cloroxilenol [inn-Spanish]
• CAS编号88-04-0
• MFCD编号:MFCD00002324
• EINECS号:201-793-8
• 分子式:C8H9ClO
• 分子量:156.61
• 产品CID: 1889520
• 产品分类化学试剂 → 有机试剂 → 芳香醇

• 相似结构搜索
• InChIKey: OSDLLIBGSJNGJE-UHFFFAOYSA-N
• InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数0.0

物理性质

• 熔点114-116  °C(文献)
• 沸点246.0±0.0 °C at 760 mmHg
• 闪点105.9±25.9 °C
• 密度1.2±0.1 g/cm3
• PH:7 (0.2g/l, H2O)
• pKa:9.76±0.23(预测)
• PSA:20.23
• LogP:3.35
• 折射率1.558
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Methanol: Soluble1G/10 Ml, Clear To Faintly Turbid, Colorless To Very Faintly Yellow
• 敏感性1.对霉菌、细菌、酵母菌均有抑制能力，对细菌的杀菌力较霉菌强，对葡萄球菌、链球菌有特效，对产气杆菌的抑制含量为0.05%，但对假单孢杆菌则几乎无效。对黑曲霉的完全抑制含量为0.3%，对黄青霉0.1%，对黄曲霉抑制能力较差。
• 外观形态白色至浅米色结晶粉末或块状物
• 储存条件2-8°C
• 产品应用防腐剂,杀菌剂,对革兰氏阳性和阴性菌及霉菌具有极好的杀灭效果.应用于乳剂,化妆品,油墨,胶合板,塑料中,作为塑料用防霉剂,特别适用于硬质和半硬质聚氯乙烯板材,人造革等.耐热性和耐候性好,水抽出性少,在树脂中的持久性强,一般用量2.该品低毒.小鼠口服LD50为3450mg/kg.①医院和普通药用,患者手术前的皮肤消毒,医用设备的灭菌,设备和硬物表面的日常清洁,以避免交叉感染;可用PCMX生产医用抗菌皂,香港脚杀菌剂以及一般的急救用品.塔可以配制成液体,无水洗手液,粉状,霜状以及洗剂等剂型,PCMX也可以再
• 性质描述无色结晶.熔点115-116°C,沸点246°C.20°C时1g能溶于3L水,能溶于1份95醇,溶于醚,苯,萜烯类,不挥发油类及氢氧化钠液.微有酚的气味,能随水蒸气挥发.在热水中稳定.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  皮肤致敏 类别1
  水生急性毒性 类别1
  水生慢性毒性 类别1
  水生慢性毒性 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H317 |可能引起皮肤过敏反应.
  H400 |对水生生物毒性极大.
  H410 |对水生生物毒性极大并具有长期持续影响.
  H411 |对水生生物有毒并具有长期持续影响.
• 防范说明P280-P301+P312+P330-P302+P352-P305+P351+P338
• 危险等级9
• UN编号UN 3077 9/PG 3
• 危险品标志Xn,Xi
• 风险等级Irritant
• 包装等级III
• 安全声明24-37
• 危险类别码22-36/38-43
• WGK Germany1.0

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 4-Chloro-3,5-Dimethylphenol 主要起始原料 3,5-Dimethylphenol
• 535976-08-0 = 88-04-0
  反应条件:1.1 Catalysts: Amberlyst 15 Solvents: Methanol,Water; 1 H,40 °C
  标题:Facile Protection Of Phenols And Hydroxypyridines: Key Components Of Natural Products - A New Pathway To Orellanine
  作者:Michelot,Didier; Et Al
  参考文献:Natural Product Research 日期:2003 卷标:17(1) 页码:41-46]
  
  = 88-04-0 + 5538-41-0
  反应条件:1.1 Reagents: Hydrochloric Acid,Hydrogen Peroxide Solvents: Water; 2 H,30 °C
  标题:Spatial Orientation Of Aromatics At Micellar Interface: Selectivity Enhancement In Oxychlorination
  作者:Samant,Bhupesh S.; Et Al
  参考文献:Journal Of Dispersion Science And Technology 日期:2012 卷标:33(7) 页码:1030-1037]
  
  = 88-04-0 + 5538-41-0
  反应条件:1.1 Reagents: Iron Chloride (Fecl3),Sulfuryl Chloride Solvents: Tetrachloroethylene; 2 H,Rt; 2 H,Rt1.2 Solvents: Water
  标题:Regioselective Chlorination Of Phenols In The Presence Of Tetrahydrothiopyran Derivatives
  作者:Smith,Keith; Et Al
  参考文献:Journal Of Sulfur Chemistry 日期:2019 卷标:40(5) 页码:529-538]
  
  = 88-04-0 + 527-61-7 + 5538-41-0 + 133-53-9 + 19523-54-7
  反应条件:1.1 Reagents: Chlorine Dioxide Solvents: Dimethylformamide,Dichloromethane; 1 H,6 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Features Of The Use Of Clo2 In The Oxidation Of Some Alkylphenols
  作者:Kutchin,A. V.; Et Al
  参考文献:Russian Chemical Bulletin 日期:2023 卷标:72(1) 页码:202-212]
  
  22454-92-8 = 88-04-0 [标题:Reaction Conditions
  标题:Dienone Intermediates In The Pummerer Rearrangement Of 4-Methylsulfinyl-3,5-Xylenol
  作者:King,Russell R.
  参考文献:Journal Of Organic Chemistry 日期:1978 卷标:43(19) 页码:3784-5]
  
  = 88-04-0 + 5538-41-0
  反应条件:1.1 Reagents: 1,3-Dichloro-5,5-Dimethylhydantoin Catalysts: 2-Propanamine,N-(1-Methylethyl)-,Hydrochloride (1:1) Solvents: Toluene; 4 H,0 °C1.2 Reagents: Sodium Sulfite Solvents: Water
  标题:Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation And Phenylselenation Of Phenols: Scope And Applications
  作者:Xiong,Xiaodong; Et Al
  参考文献:Acs Catalysis 日期:2018 卷标:8(5) 页码:4033-4043]
  
  = 88-04-0 + 133-53-9
  反应条件:1.1 Reagents: Ethanaminium,N-Chloro-N,N-Diethyl-,Chloride (1:1) Solvents: Trifluoroacetic Acid
  标题:Highly Selective Aromatic Chlorinations. Part 2. The Chlorination Of Substituted Phenols,Anisoles,Anilines And Related Compounds With N-Chloroamines In Acidic Solution
  作者:Lindsay Smith,John R.; Et Al
  参考文献:Journal Of The Chemical Society 日期:1988 卷标:(3) 页码:385-91]
  
  = 88-04-0 + 5538-41-0 + 133-53-9
  反应条件:1.1 Reagents: Sulfuryl Chloride Catalysts: Iron Chloride (Fecl3),1,3-Propanedithiol,Homopolymer; 2 H,Rt; 2 H,Rt1.2 Reagents: Water
  标题:Comparison Of Cyclic And Polymeric Disulfides As Catalysts For The Regioselective Chlorination Of Phenols
  作者:Smith,Keith; Et Al
  参考文献:Journal Of Sulfur Chemistry 日期:2015 卷标:36(1) 页码:74-85]
  
  = 88-04-0 + 5538-41-0 + 133-53-9
  反应条件:1.1 Reagents: Thionyl Chloride,9-(Methylthio)-1-Nonanol Catalysts: Iron Chloride (Fecl3) Solvents: Dichloromethane; Rt; 2 H,Rt; 2 H,Rt1.2 Reagents: Water; Rt
  标题:Regioselective Synthesis Of Important Chlorophenols In The Presence Of Methylthioalkanes With Remote Sme,Ome Or Oh Substituents
  作者:Smith,Keith; Et Al
  参考文献:Journal Of Sulfur Chemistry 日期:2018 卷标:39(6) 页码:607-621

海关参考信息

• 2902300000-甲苯
  2903919090-氯苯
  2908191000-对氯苯酚
  2908999090-其他酚的硝化衍生物
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管