19199-82-7

• 常用中文名：4-硝基苯基2-溴乙酸酯
• 常用英文名：Acetic acid, 2-bromo-,4-nitrophenyl ester
• CAS号：19199-82-7
• 分子式：C₈H₆BrNO₄
• 分子量：260.04200
• 发布时间：2018-07-07 09:46:29
• 更新时间：2024-01-20 23:12:10

名称

• 中文名: 4-硝基苯酚溴乙酯
• 英文名: (4-nitrophenyl) 2-bromoacetate
• 中文别名: 4-硝基苯基溴醋酸盐; 对硝基苯溴乙酸
• 英文别名: p-nitro-2-bromoacetophenone; Bromoacetic acid,4-nitrophenyl ester; 4-NITROPHENYL BROMOACETATE; p-Nitrophenyl bromoacetate; 4-nitrophenyl 2-bromoacetate; MFCD00051840; p-nitrophenyl 2-bromoacetate

物化性质

• 分子式: C₈H₆BrNO₄
• 分子量: 260.04200
• 精确质量: 258.94800
• PSA: 72.12000
• LogP: 2.41830
• 储存条件:

  常温密闭避光，通风干燥惰性气体下

• 稳定性:

  常温常压下稳定

  避免的物料：水分/潮湿 氧化物
• 分子结构:

  1、 摩尔折射率：51.87

  2、 摩尔体积（m³/mol）：152.0

  3、 等张比容（90.2K）：416.4

  4、 表面张力（dyne/cm）：56.2

  5、 极化率（10^-24cm³）：20.56

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积72.1

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:220

  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：不确定

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：83-85

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC, 5.2kPa）：不确定

  7. 折射率：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Name: 4-Nitrophenyl Bromoacetate 98% Material Safety Data Sheet Synonym: Bromoacetic Acid p-Nitrophenyl Este CAS: 19199-82-7 Section 1 - Chemical Product MSDS Name:4-Nitrophenyl Bromoacetate 98% Material Safety Data Sheet Synonym:Bromoacetic Acid p-Nitrophenyl Este Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 19199-82-7 4-Nitrophenyl Bromoacetate 98% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.Moisture sensitive. 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. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema. Chronic: 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. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Do NOT get water inside containers. 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. Do not get water inside containers. 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. Do not allow contact with water. Use only in a chemical fume hood. Wash clothing before reuse. Keep from contact with moist air and steam. Storage: Store in a tightly closed container. Keep refrigerated. (Store below 4C/39F.) Store protected from moisture. 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# 19199-82-7: 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: Crystals Color: white to pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 83 - 85 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: C8H6BrNO4 Molecular Weight: 260.04 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, exposure to moist air or water. Incompatibilities with Other Materials: Moisture, oxidizing agents. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 19199-82-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Nitrophenyl Bromoacetate - 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# 19199-82-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 19199-82-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 19199-82-7 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

生态学数据: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26;S37/S39
• 海关编码: 2915900090

合成路线

100-02-7 79-08-3 ~80% 19199-82-7

文献：Jones; Barstad; Feild; Hachmann; Hayag; Hill; Iverson; Livingston; Palanki; Tibbetts; Yu; Courts Journal of Medicinal Chemistry, 1995 , vol. 38, # 12 p. 2138 - 2144

100-02-7 598-21-0 ~66% 19199-82-7

文献：Trmcic, Milena; Hodgson, David R. W. Beilstein Journal of Organic Chemistry, 2010 , vol. 6, p. 732 - 741

22118-09-8 100-02-7 ~32% 19199-82-7

文献：Greenhill, John V.; Taylor, Edward C. Heterocycles, 1991 , vol. 32, # 12 p. 2417 - 2427

上下游产品

上游产品  4
100-02-7 79-08-3 598-21-0 22118-09-8
下游产品  6
106929-06-0 106929-03-7 76563-10-5 76563-12-7
7746-94-3 14609-74-6

海关

海关编码	2915900090
中文概述	2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%