13244-33-2

• 常用中文名：对氨基苯甲醚-3-磺酸
• 常用英文名：2-Amino-5-methoxybenzenesulfonic acid
• CAS号：13244-33-2
• 分子式：C₇H₉NO₄S
• 分子量：203.216
• 相关类别： 有机原料 氨基化合物 磺酸类氨基化合物
• 发布时间：2018-03-04 08:00:00
• 更新时间：2024-01-02 15:46:30
• 【用途一】
  用作酸性、活性、间接染料中间体
  【用途二】
  直接红8、224、243，直接混纺大红D-GLN，活性红8、222、33、43等染料的中间体。
  【用途三】
  直接红8；224；243，直接混纺大红D-GLN，活性红8；222；33；43等染料的中间体。

名称

• 中文名: 对氨基苯甲醚-3-磺酸
• 英文名: p-Anisidine-3-sulfonic acid
• 中文别名: 2-氨基-5-甲氧基苯磺酸; 4-甲氧基苯胺-2-磺酸; 4-氨基苯甲醚-3-磺酸; 对茴香胺-2-磺酸
• 英文别名: Benzenesulfonic acid, 2-amino-5-methoxy-; p-Anisidine-2-sulfonic Acid; MFCD00035804; 2-Amino-5-methoxybenzenesulfonic acid; EINECS 236-224-2; 4-Methoxyaniline-2-sulfonic Acid; 4-Aminoanisole-3-sulfonic Acid

物化性质

• 密度: 1.5±0.1 g/cm3
• 熔点: 314-318ºC
• 分子式: C₇H₉NO₄S
• 分子量: 203.216
• 精确质量: 203.025223
• PSA: 98.00000
• LogP: 0.34
• 外观性状: 橙色至红色粉末
• 折射率: 1.595
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：47.08

  2、 摩尔体积（m³/mol）：138.4

  3、 等张比容（90.2K）：386.8

  4、 表面张力（dyne/cm）：60.85

  5、 极化率（10^-24cm³）：18.66

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：0.4

  2、 氢键供体数量：1

  3、 氢键受体数量：5

  4、 可旋转化学键数量：1

  5、 拓扑分子极性表面积（TPSA）：92.5

  6、 重原子数量：13

  7、 表面电荷：-1

  8、 复杂度：245

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：1

• 更多:

  1. 性状：米白色粉末

  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）：314-318

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，41mmHg）：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（20ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：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：未确定

MSDS

Name: 2-Amino-5-Methoxybenzenesulfonic Acid 98% Material Safety Data Sheet Synonym: 4-Aminoanisole-3-Sulfonic Acid; 4-Methoxy-2-Sulfoaniline CAS: 13244-33-2 Section 1 - Chemical Product MSDS Name:2-Amino-5-Methoxybenzenesulfonic Acid 98% Material Safety Data Sheet Synonym:4-Aminoanisole-3-Sulfonic Acid; 4-Methoxy-2-Sulfoaniline Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 13244-33-2 2-Amino-5-Methoxybenzenesulfonic Acid 98% 236-224-2 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause methemoglobinemia, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), convulsions, and death. Inhalation: Causes respiratory tract irritation. May cause methemoglobinemia, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), convulsions, tachycardia, dyspnea (labored breathing), and death. Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. May cause burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. Can produce delayed pulmonary edema. Chronic: May cause methemoglobinemia, which is characterized by chocolate-brown colored blood, headache, weakness, dizziness, breath shortness, cyanosis (bluish skin due to deficient oxygenation of blood), rapid heart rate, unconsciousness and possible death. Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. 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: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water. 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. Do NOT use mouth-to-mouth resuscitation. Notes to Physician: Treat symptomatically and supportively. For methemoglobinemia, administer oxygen alone or with Methylene Blue depending on the methemoglobin concentration in the blood. Antidote: Methylene blue, alone or in combination with oxygen is indicated as a treatment in nitrite induced methemoglobinemia. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. Use water spray, dry chemical, carbon dioxide, or appropriate foam. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 13244-33-2: 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: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C7H9NO4S Molecular Weight: 203.1273 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 13244-33-2: DB4950000 LD50/LC50: CAS# 13244-33-2: Draize test, rabbit, eye: 500 mg/24H Mild; Draize test, rabbit, skin: 500 mg/24H Mild; Oral, rat: LD50 = 10 gm/kg. Carcinogenicity: 2-Amino-5-Methoxybenzenesulfonic Acid - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: 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 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 13244-33-2: 1 Canada CAS# 13244-33-2 is listed on Canada's NDSL List. CAS# 13244-33-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 13244-33-2 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：大鼠口服LD50： 10gm /kg； 2. 皮肤眼睛刺激数据：兔子皮肤标准刺激测试：500 mg/24HREACTION SEVERITY : Mild；兔子眼睛标准刺激测试：500 mg/24HREACTION SEVERITY : Mild CHEMICAL IDENTIFICATION RTECS NUMBER : DB4950000 CHEMICAL NAME : Benzenesulfonic acid, 2-amino-5-methoxy- CAS REGISTRY NUMBER : 13244-33-2 BEILSTEIN REFERENCE NO. : 3284409 LAST UPDATED : 199701 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C7-H9-N-O4-S MOLECULAR WEIGHT : 203.23 WISWESSER LINE NOTATION : WSQR BZ EO1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1055,1986 TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1055,1986 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 10 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1055,1986

安全

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S37/39-S26
• RTECS号: DB4950000
• 海关编码: 2922299090

合成路线

2942-13-4 ~95% 13244-33-2

文献：Jagadeesh; Karthikeyan; Nithya; Sandhya, Y. Sree; Reddy, S. Sudhaker; Reddy, P. Pradeep Kumar; Kumar, M. Vinod; Charan, K.T. Prabhu; Narender; Bhagat Journal of Molecular Catalysis A: Chemical, 2010 , vol. 328, # 1-2 p. 99 - 107

1190954-82-5 ~96% 13244-33-2

文献：Bruyneel, Frederic; Payen, Olivier; Rescigno, Antonio; Tinant, Bernard; Marchand-Brvnaert, Jacaueline Chemistry - A European Journal, 2009 , vol. 15, # 33 p. 8283 - 8295

56619-94-4 ~% 13244-33-2

文献：Chemistry - A European Journal, , vol. 15, # 33 p. 8283 - 8295

104-94-9 ~% 13244-33-2

文献：Chemistry - A European Journal, , vol. 15, # 33 p. 8283 - 8295

100-17-4 ~% 13244-33-2

文献：DE146655 ;

上下游产品

上游产品  5
2942-13-4 1190954-82-5 56619-94-4 104-94-9
100-17-4
下游产品  2
2835-05-4 40567-33-7

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%