99-59-2

• 常用中文名：2-氨基-4-硝基苯甲醚
• 常用英文名：2-Amino-4-Nitroanisole
• CAS号：99-59-2
• 分子式：C₇H₈N₂O₃
• 分子量：168.150
• 相关类别： 生物化工 多肽
• 发布时间：2018-02-20 08:00:00
• 更新时间：2024-01-02 16:18:38
• 作为染料、颜料及有机合成中间体

名称

• 中文名: 2-氨基-4-硝基苯甲醚
• 英文名: 2-methoxy-5-nitroaniline
• 中文别名: 2-氨基-4-硝基茴香醚; 2-甲氧基-5-硝基苯胺; 5-硝基邻甲氧基苯胺; 粗色基R; 大红色基R; 5-硝基邻茴香胺; 邻氨基对硝基苯甲醚
• 英文别名: 2-Amino-4-nitro anisidine; 5-Nitro-2-methoxyaniline; 2-Amino-4-Nitroanisole; Benzenamine, 2-methoxy-5-nitro-; 2-Methoxy-5-nitrobenzenamine; 3-Amino-4-methoxynitrobenzene; MFCD00007261; 2-Methoxy-5-nitroaniline; 5-Nitro-2-anisidine; EINECS 202-770-5; WNR CZ DO1

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 351.8±22.0 °C at 760 mmHg
• 熔点: 117-119 °C(lit.)
• 分子式: C₇H₈N₂O₃
• 分子量: 168.150
• 闪点: 166.6±22.3 °C
• 精确质量: 168.053497
• PSA: 81.07000
• LogP: 1.69
• 外观性状: 橙色至棕色粉末
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.601
• 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。包装密封。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 区应备有合适的材料收容泄漏物。
• 稳定性:

  避免与强氧化剂接触。

• 水溶解性: Slightly soluble.
• 分子结构:

  1、 摩尔折射率：43.71

  2、 摩尔体积（cm³/mol）：127.5

  3、 等张比容（90.2K）：345.2

  4、 表面张力（dyne/cm）：53.6

  5、 介电常数：

  6、 偶极距（10^-24cm³）：

  7、 极化率：17.32

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:4

  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81.1

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:169

  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：橙红色针状晶体。

  2. 密度（g/mL,20℃）：1.2068

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：117-119

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC, kPa）：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,20.2ºC）：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：易溶于丙酮、甲醇、乙醇、苯、乙酸乙酯等。不溶于石油醚。

MSDS

Name: 2-Methoxy-5-nitroaniline 99% Material Safety Data Sheet Synonym: 5-Nitro-o-anisidine; 3-Amino-4-Methoxynitrobenzene; 3-Nitro-6-Methoxyaniline CAS: 99-59-2 Section 1 - Chemical Product MSDS Name:2-Methoxy-5-nitroaniline 99% Material Safety Data Sheet Synonym:5-Nitro-o-anisidine; 3-Amino-4-Methoxynitrobenzene; 3-Nitro-6-Methoxyaniline Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 99-59-2 2-Methoxy-5-nitroaniline 99.0 202-770-5 Hazard Symbols: T+ Risk Phrases: 26/27/28 33 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Very toxic by inhalation, in contact with skin and if swallowed. Danger of cumulative effects.Moisture sensitive. Potential Health Effects Eye: Dust may cause mechanical irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. Inhalation: May cause respiratory tract irritation. Chronic: May cause cancer according to animal studies. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. 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. Antidote: None reported. 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. Combustible material; may burn but does not ignite readily. Extinguishing Media: Water or foam may cause frothing. 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: Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use only in a well-ventilated area. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 99-59-2: Russia: 1 mg/m3 TWA Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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: Powder Color: orange to brown Odor: None reported. pH: Not available. Vapor Pressure: 1.3104 mm Hg @25C Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 117.0 - 119.0 deg C Autoignition Temperature: Not available. Flash Point: 200 deg C ( 392.00 deg F) Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: 200 deg C Solubility in water: 2206 mg/L @25C Specific Gravity/Density: 1.207 @156C Molecular Formula: C7H8N2O3 Molecular Weight: 168.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents, acids, acid chlorides, acid anhydrides, chloroformates, liquid anisidine. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 99-59-2: BZ7175000 LD50/LC50: CAS# 99-59-2: Oral, mouse: LD50 = 1060 mg/kg; Oral, rabbit: LD50 = 1 gm/kg; Oral, rat: LD50 = 2250 mg/kg. Carcinogenicity: 2-Methoxy-5-nitroaniline - California: carcinogen, initial date 10/1/89 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 Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: II IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: II RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T+ Risk Phrases: R 26/27/28 Very toxic by inhalation, in contact with skin and if swallowed. R 33 Danger of cumulative effects. Safety Phrases: S 28A After contact with skin, wash immediately with plenty of water. S 36/37 Wear suitable protective clothing and gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 99-59-2: No information available. Canada CAS# 99-59-2 is listed on Canada's NDSL List. CAS# 99-59-2 is listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 99-59-2 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、 急性毒性：大鼠经口LD5O：2250mg/kg 小鼠经口LD5O：1060mg/kg 生态学数据: 该物质对水有稍微的危害。 CHEMICAL IDENTIFICATION RTECS NUMBER : BZ7175000 CHEMICAL NAME : o-Anisidine, 5-nitro- CAS REGISTRY NUMBER : 99-59-2 BEILSTEIN REFERENCE NO. : 0879620 LAST UPDATED : 199710 DATA ITEMS CITED : 23 MOLECULAR FORMULA : C7-H8-N2-O3 MOLECULAR WEIGHT : 168.17 WISWESSER LINE NOTATION : WNR CZ DO1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2250 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 : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1060 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 : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 13500 mg/kg/30D-I TOXIC EFFECTS : Liver - liver function tests impaired Liver - changes in liver weight Blood - other changes TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 109 gm/kg/78W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Ear) - effect, not otherwise specified Skin and Appendages - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 413 gm/kg/78W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 524 gm/kg/78W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 218 gm/kg/78W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Ear) - effect, not otherwise specified Skin and Appendages - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 4368 gm/kg/78W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3444 gm/kg/78W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2184 gm/kg/78W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Endocrine - tumors Skin and Appendages - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 4368 gm/kg/78W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Endocrine - tumors Skin and Appendages - tumors MUTATION DATA TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 1 umol/plate REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 58,11,1978 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 27,133,1982 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 27,133,1982 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-FINLAND;Carcinogen JAN 1993 OEL-RUSSIA:STEL 1 mg/m3;Skin JAN 1993

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S26-S36-S45-S36/37
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 2
• RTECS号: BZ7175000
• 包装等级: I; II; III
• 危险类别: 6.1
• 海关编码: 2922299090

合成路线

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制备

由2,4-二硝基氯苯经甲氧基化、还原而得。1.甲氧基化将熔融的2,4-二硝基氯苯加入反应锅，再加入甲醇。加热至40℃左右，在4h内先快后慢地加入30%氢氧化钠溶液，温度控制在58-60℃。反应至酚酞试纸对料液显橘红色时为终点，得2,4-二硝基苯甲醚，收率为95%。2.还原将上述甲氧基化生成物冷至30℃，在4h内先快后慢地加入18%的二硫化钠溶液，反应温度从30℃逐度上升至50℃。加完后在50-55℃保温半小时。反应完成后冷却至20℃，压滤、洗涤、干燥，得2-甲氧基-5-硝基苯胺。收率为76%。

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%