81-50-5

• 常用中文名：1-氨基-4-溴-2-甲基蒽醌
• 常用英文名：1-Amino-2-methyl-4-bromoanthraquinone
• CAS号：81-50-5
• 分子式：C₁₅H₁₀BrNO₂
• 分子量：316.149
• 相关类别： 化学试剂 有机试剂 芳香酮
• 发布时间：2018-04-19 08:00:00
• 更新时间：2024-01-02 12:30:59
• 下载msds

名称

• 中文名: 1-氨基-4-溴-2-甲基蒽醌
• 英文名: 1-amino-4-bromo-2-methylanthracene-9,10-dione
• 中文别名: 1-氨基-4-溴基-2-甲基蒽醌; 1-氨基-4-溴-2-甲基蒽酮
• 英文别名: Anthraquinone,1-amino-4-bromo-2-methyl; 9,10-Anthracenedione, 1-amino-4-bromo-2-methyl-; 1-Amino-4-brom-2-methyl-anthrachinon; 1-Amino-4-bromo-2-methyl-9,10-anthraquinone; 1-Amino-4-bromo-2-methylanthraquinone; EINECS 201-355-6; 1-Amino-2-methyl-4-bromoanthraquinone; Anthraquinone, 1-amino-4-bromo-2-methyl-; 1-amino-4-bromo-2-methyl-9,10-anthracenedione; 9,10-Anthracenedione,1-amino-4-bromo-2-methyl; MFCD00001221

物化性质

• 密度: 1.6±0.1 g/cm3
• 沸点: 526.5±50.0 °C at 760 mmHg
• 熔点: 245ºC (dec.)(lit.)
• 分子式: C₁₅H₁₀BrNO₂
• 分子量: 316.149
• 闪点: 272.2±30.1 °C
• 精确质量: 314.989471
• PSA: 60.16000
• LogP: 4.93
• 外观性状: 橙色至红色结晶粉末
• 蒸汽压: 0.0±1.4 mmHg at 25°C
• 折射率: 1.706
• 储存条件:

  密封贮藏，储存在阴凉、干燥地方。

• 稳定性:

  与强氧化剂，强酸反应。

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.8

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:0

  5.互变异构体数量:13

  6.拓扑分子极性表面积60.2

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:411

  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）：245

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,50mmHg）：未确定

  7. 折射率(n20/D)：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,40ºC）：未确定

  12. 饱和蒸气压（kPa,125ºC）：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: 1-Amino-4-bromo-2-methylanthraquinone 95% Material Safety Data Sheet Synonym: CAS: 81-50-5 Section 1 - Chemical Product MSDS Name:1-Amino-4-bromo-2-methylanthraquinone 95% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 81-50-5 1-Amino-4-bromo-2-methylanthraquinone 95% 201-355-6 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. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. 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. Get medical aid. 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. 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. 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 water spray, dry chemical, carbon dioxide, or chemical 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 81-50-5: 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: Crystalline powder Color: orange to red Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 245 - 252 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: C15H10BrNO2 Molecular Weight: 316.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong acids. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 81-50-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Amino-4-bromo-2-methylanthraquinone - Not listed by ACGIH, IARC, or NTP. 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# 81-50-5: No information available. Canada CAS# 81-50-5 is listed on Canada's NDSL List. CAS# 81-50-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 81-50-5 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

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): Xi: Irritant;
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-37/39
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2922399090

合成路线

82-28-0 ~90% 81-50-5

文献：Dynapol Patent: US4196294 A1, 1980 ;

7732-18-5 82-28-0 ~% 81-50-5

文献：US4051138 A1, ;

92629-25-9 110-83-8 ~14% 81-50-5 139488-57-6

文献：Journal of Organic Chemistry USSR (English Translation), , vol. 27, # 8 p. 1547 - 1549 Zhurnal Organicheskoi Khimii, , vol. 27, # 8 p. 1762 - 1764

21301-46-2 ~85% 81-50-5

文献：Gornostaev, L. M.; Sakilidi, V. T. Journal of Organic Chemistry USSR (English Translation), 1980 , vol. 16, # 3 p. 562 - 565 Zhurnal Organicheskoi Khimii, 1980 , vol. 16, # 3 p. 642 - 645

858847-97-9 ~% 81-50-5

文献：DE612958 , ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 20, p. 1304

101575-99-9 ~% 81-50-5

文献：DE612958 , ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 20, p. 1304

860729-43-7 ~% 81-50-5

文献：DE612958 , ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 20, p. 1304

上下游产品

上游产品  5
82-28-0 7732-18-5 110-83-8 858847-97-9
860729-43-7
下游产品  4
51418-86-1 10146-51-7 116-77-8 63723-54-6

海关

海关编码	2922399090
中文概述	2922399090 其他氨基醛、氨基酮及其盐（包括氨基醌及其盐，但含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 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	2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%