3096-70-6

• 常用中文名：4-氨基-3,5-二甲苯酚
• 常用英文名：4-Amino-3,5-xylenol
• CAS号：3096-70-6
• 分子式：C₈H₁₁NO
• 分子量：137.17900
• 相关类别： 化学试剂 有机试剂 酚类
• 发布时间：2018-09-01 15:27:58
• 更新时间：2024-01-02 19:36:32
• 【用途一】
  用作医药中间体

名称

• 中文名: 3,5-二甲基-4-氨基苯酚
• 英文名: 4-hydroxy-2,6-dimethylaniline
• 中文别名: 3.5-二甲基-4-胺基苯酚; 4-羟基-2,6-二甲基苯胺; 4-氨基-3,5-二甲苯酚; 4-氨基-3,5-二甲基苯酚
• 英文别名: 4-Amino-3,5-xylenol; 4-Hydroxy-2,6-dimethylaniline; 3,5-Xylenol,4-amino; 2,6-dimethyl-4-hydroxyaniline; 4-Amino-3,5-dimethylphenol; 4-Amino-3,5-dimethyl-phenol; 3,5-dimethyl-4-amino phenol; 1,3-Dimethyl-2-amino-5-xylenol; MFCD01741459; EINECS 221-448-5

物化性质

• 密度: 1.118g/cm3
• 沸点: 296.5ºC at 760mmHg
• 熔点: 181 °C
• 分子式: C₈H₁₁NO
• 分子量: 137.17900
• 闪点: 133.1ºC
• 精确质量: 137.08400
• PSA: 46.25000
• LogP: 2.17240
• 外观性状: 棕色固体
• 折射率: 1.6
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：42.02

  2、 摩尔体积（m³/mol）：122.6

  3、 等张比容（90.2K）：323.4

  4、 表面张力（dyne/cm）：48.2

  5、 极化率（10^-24cm³）：16.65

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:2

  4.可旋转化学键数量:0

  5.互变异构体数量:10

  6.拓扑分子极性表面积46.2

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:104

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：181

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

4-Amino-3,5-xylenol Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:4-Amino-3,5-xylenol Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDS Category 4 Acute toxicity (Oral) Acute toxicity (Dermal)Category 4 Category 4 Acute toxicity (Inhalation) Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation ENVIRONMENTAL HAZARDSNot classified GHS label elements Pictograms or hazard symbols Signal wordWarning Hazard statementHarmful by inhalation, in contact with skin and if swallowed Causes skin irritation Causes serious eye irritation Precautionary statements [Prevention]Avoid breathing. Use only outdoors or in a well-ventilated area. Do not eat, drink or smoke when using this product. Wash hands thoroughly after handling. Wear protective gloves and eye/face protection. IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for [Response] breathing. Call a POISON CENTER or doctor/physician if you feel unwell. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Wash contaminated clothing before reuse. Call a POISON CENTER or doctor/physician if you feel unwell. [Disposal]Dispose of contents/container through a waste management company authorized by the local government 4-Amino-3,5-xylenol Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):4-Amino-3,5-xylenol Percent:>98.0%(GC)(T) CAS Number:3096-70-6 Synonyms:4-Amino-3,5-dimethylphenol , 4-Hydroxy-2,6-dimethylaniline Chemical Formula:C8H11NO Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Call a POISON CENTER or doctor/physician if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling:Avoid contact with skin, eyes and clothing. Storage Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store under inert gas. Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. 4-Amino-3,5-xylenol Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Safety glasses. A face-shield, if the situation requires. Eye protection: Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid crystal - powder Form: Color:White - Greyish reddish yellow No data available Odor: pH: No data available Melting point/freezing point:181 °C Boiling Point/Range:No data available Flash Point:No data available Explosive limits No data available Lower: Upper:No data available No data available Density: Solubility:Soluble in : Methanol Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Conditions to avoid:Light-sensitive, Air-sensitive Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx) Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:orl-cat LDLo:412 mg/kg orl-rat LD:>500 mg/kg Skin corrosion/irritation: No data available No data available Serious eye damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: No data available IARC = NTP =No data available No data available Reproductive toxicity: RTECS Number:ZE6740000 Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil log Pow:No data available Soil adsorption (Koc):No data available 4-Amino-3,5-xylenol Section12. ECOLOGICAL INFORMATION Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations Not Listed UN-No: Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1 。 试验方法：口服 摄入剂量： “ 500毫克/千克 测试对象：啮齿动物-鼠 毒性类型：急性 毒性作用： 详细的毒副作用没有报告以外的其他致死剂量值 2 。 试验方法：口服 摄入剂量： 412毫克/千克 测试对象：哺乳动物-猫 毒性类型：急性 毒性作用： 1.一般麻醉 2.肺，胸部或呼吸-紫绀 3.高铁血红蛋白血症， 生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : ZE6740000 CHEMICAL NAME : 3,5-Xylenol, 4-amino- CAS REGISTRY NUMBER : 3096-70-6 BEILSTEIN REFERENCE NO. : 2082260 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C8-H11-N-O MOLECULAR WEIGHT : 137.20 WISWESSER LINE NOTATION : ZR DQ B1 F1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,11,1953 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 412 mg/kg TOXIC EFFECTS : Behavioral - general anesthetic Lungs, Thorax, or Respiration - cyanosis Blood - methemoglobinemia-carboxyhemoglobin REFERENCE : AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 72,241,1913

安全

• 危害码 (欧洲): N
• 风险声明 (欧洲): 50
• 安全声明 (欧洲): 61
• RTECS号: ZE6740000
• 海关编码: 2922299090

合成路线

上下游产品

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海关

海关编码	2922299090
中文概述	2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
Summary	2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%