102-51-2

• 常用中文名：4-甲氧基邻苯二胺
• 常用英文名：3,4-Diamino anisole
• CAS号：102-51-2
• 分子式：C₇H₁₀N₂O
• 分子量：138.167
• 相关类别： 化学试剂 有机试剂 酰亚胺
• 发布时间：2018-07-04 06:11:43
• 更新时间：2024-01-02 10:31:12

• 染料中间体。用于生产染料分散荧光黄Ⅱ。

名称

• 中文名: 4-甲氧基邻苯二胺
• 英文名: 4-Methoxy-O-Phenylenediamine
• 中文别名: 4-甲基邻苯二胺
• 英文别名: MFCD00047837; 3,4-Diamino anisole; 4-methoxy-1,2-diamino-benzene; 4-Methoxy-1,2-benzenediamine; 4-methoxybenzene-1,2-diamine; 1,2-Benzenediamine, 4-methoxy-; 4-Methoxy-1,2-diaminobenzene; 3,4-Diaminoanisole; Esomeprazole Impurity 25

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 302.4±22.0 °C at 760 mmHg
• 熔点: 46-48°C
• 分子式: C₇H₁₀N₂O
• 分子量: 138.167
• 闪点: 161.7±16.0 °C
• 精确质量: 138.079315
• PSA: 61.27000
• LogP: -0.16
• 外观性状: 暗褐色黑色固体
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.619
• 储存条件: 储存于阴凉、通风的库房。远离火种、热源。防止阳光直射。保持容器密封。应与氧化剂分开存放，切忌混储。配备相应品种和数量的消防器 材。储区应备有泄漏应急处理设备和合适的收容材料。
• 稳定性:

  避免与氧化剂接触。

• 分子结构:

  1、 摩尔折射率：41.40

  2、 摩尔体积（cm³/mol）：117.9

  3、 等张比容（90.2K）：315.6

  4、 表面张力（dyne/cm）：51.1

  5、 介电常数：

  6、 偶极距（10^-24cm³）：

  7、 极化率：16.41
• 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:3

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积61.3

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:108

  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：绿色片状结晶

  2. 密度（g/mL,25℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：50~52

  5. 沸点（ºC）：167~170

  6. 沸点（ºC, mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）: 未确定

  11. 蒸气压（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa, ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：溶于乙醚

MSDS

Name: 4-Methoxy-o-phenylenediamine Material Safety Data Sheet Synonym: CAS: 102-51-2 Section 1 - Chemical Product MSDS Name:4-Methoxy-o-phenylenediamine Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 102-51-2 4-Methoxy-o-phenylenediamine unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a tightly closed container. Keep refrigerated. (Store below 4C/39F.) Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 102-51-2: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 46 - 48 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C7H10N2O Molecular Weight: 138.0828 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 102-51-2: ST2690000 LD50/LC50: Not available. Carcinogenicity: 4-Methoxy-o-phenylenediamine - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Other No information available. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 102-51-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 102-51-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 102-51-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 致突变性：DNA损害试验：人体成纤维细胞，50μmol/L； 生态学数据: 该物质对水有稍微的危害。 CHEMICAL IDENTIFICATION RTECS NUMBER : ST2690000 CHEMICAL NAME : o-Phenylenediamine, 4-methoxy- CAS REGISTRY NUMBER : 102-51-2 BEILSTEIN REFERENCE NO. : 0878789 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C7-H10-N2-O MOLECULAR WEIGHT : 138.19 HEALTH HAZARD DATA ACUTE TOXICITY DATA MUTATION DATA TYPE OF TEST : DNA damage TEST SYSTEM : Human Fibroblast DOSE/DURATION : 50 umol/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 127,107,1984

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R23/24/25
• 安全声明 (欧洲): S26-S36/37/39-S45
• 危险品运输编码: 2811
• 海关编码: 2922299090

合成路线

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制备

由3-硝基对氨基甲醚用铁粉还原而得。将60%的乙酸和3-硝基对氨基苯甲醚加入还原釜中，搅拌0.5h，加入铁粉。加热至60℃，保温反应直至料液渗圈无色即为终点，还原生成4-甲氧基邻苯二胺。

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%