2645-07-0

• 常用中文名：4-硝基马尿酸
• 常用英文名：4-nitrohippuric acid
• CAS号：2645-07-0
• 分子式：C₉H₈N₂O₅
• 分子量：224.17000
• 相关类别： 化学试剂 有机试剂 芳香酸
• 发布时间：2018-06-21 13:02:56
• 更新时间：2024-01-28 18:53:14
• N-(4-硝基苯甲酰)甘氨酸是甘氨酸(HY-Y0966)衍生物[1]。

名称

• 中文名: 4-硝基马尿酸
• 英文名: 2-[(4-nitrobenzoyl)amino]acetic acid
• 中文别名: 对硝基马尿酸; N-(4-硝基苯甲酰基)甘氨酸
• 英文别名: Hippuric acid,p-nitro; MFCD00007349; 4-Nitrohippuric acid; EINECS 220-156-5; p-nitrohippuric acid; 4-nitro-hippuric acid; p-Nitrobenzoylglycine

物化性质

• 密度: 1.467g/cm3
• 沸点: 531.2ºC at 760mmHg
• 熔点: 131-133 °C(lit.)
• 分子式: C₉H₈N₂O₅
• 分子量: 224.17000
• 闪点: 275ºC
• 精确质量: 224.04300
• PSA: 112.22000
• LogP: 1.32330
• 蒸汽压: 4.11E-12mmHg at 25°C
• 储存条件:

  密封于阴凉干燥环境。

• 稳定性:

  如果遵照规格使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：52.61

  2、 摩尔体积（m³/mol）：152.7

  3、 等张比容（90.2K）：437.4

  4、 表面张力（dyne/cm）：67.2

  5、 极化率（10^-24cm³）：20.85

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：-0.4

  2、 氢键供体数量：2

  3、 氢键受体数量：5

  4、 可旋转化学键数量：3

  5、 拓扑分子极性表面积（TPSA）：110

  6、 重原子数量：16

  7、 表面电荷：0

  8、 复杂度：291

  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：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：131-133

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）： 无可用

  19. 溶解性：无可用

生物活性

• 描述: N-(4-硝基苯甲酰)甘氨酸是甘氨酸(HY-Y0966)衍生物[1]。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 体外研究: 氨基酸和氨基酸衍生物已被商业化用作能量补充剂。它们影响合成代谢激素的分泌、运动期间的燃料供应、压力相关任务期间的精神表现,并防止运动引起的肌肉损伤。它们被认为是有益的能生膳食物质[1]。
• 参考文献:

  [1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.

MSDS

Name: 4-Nitrohippuric acid 98% Material Safety Data Sheet Synonym: N-(4-Nitrobenzoyl)glycin CAS: 2645-07-0 Section 1 - Chemical Product MSDS Name:4-Nitrohippuric acid 98% Material Safety Data Sheet Synonym:N-(4-Nitrobenzoyl)glycin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2645-07-0 4-Nitrohippuric acid 98.0 220-156-5 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. 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. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Notes to Physician: 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 2645-07-0: 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: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 131 - 133 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: C9H8N2O5 Molecular Weight: 224.17 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2645-07-0: MC0785000 LD50/LC50: Not available. Carcinogenicity: 4-Nitrohippuric acid - 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 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 2645-07-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2645-07-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2645-07-0 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: 该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : MC0785000 CHEMICAL NAME : Glycine, N-(4-nitrobenzoyl)- CAS REGISTRY NUMBER : 2645-07-0 BEILSTEIN REFERENCE NO. : 1125394 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C9-H8-N2-O5 MOLECULAR WEIGHT : 224.19 HEALTH HAZARD DATA ACUTE TOXICITY DATA MUTATION DATA TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 1 mg/plate REFERENCE : EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 19(Suppl 21),2,1992

安全

• WGK德国: 3
• RTECS号: MC0785000
• 海关编码: 2924299090

合成路线

7512-77-8 ~64% 2645-07-0

文献：F2G LTD Patent: WO2008/62182 A1, 2008 ; Location in patent: Page/Page column 153 ;

6640-65-9 ~83% 2645-07-0

文献：Barati, Behjat; Moghadam, Majid; Rahmati, Abbas; Tangestaninejad, Shahram; Mirkhani, Valiollah; Mohammadpoor-Baltork, Iraj Synlett, 2013 , vol. 24, # 1 p. 90 - 96

122-04-3 56-40-6 ~86% 2645-07-0

文献：Jursic; Neumann Synthetic Communications, 2001 , vol. 31, # 4 p. 555 - 564

62-23-7 ~% 2645-07-0

文献：DeRuiter, Jack; Swearingen, Blake E.; Wandrekar, Vinay; Mayfield, Charles A. Journal of Medicinal Chemistry, 1989 , vol. 32, # 5 p. 1033 - 1038

75152-21-5 ~% 2645-07-0

文献：Curran, Terence C; Farrar, Charles R.; Niazy, Omima; Williams, Andrew Journal of the American Chemical Society, 1980 , vol. 102, # 22 p. 6828 - 6837

1037-31-6 56-40-6 ~% 2645-07-0

文献：Lebedukho; Kuritsyn; Sadovnikov Russian Journal of General Chemistry, 2004 , vol. 74, # 2 p. 222 - 224

1037-31-6 56-40-6 ~% 2645-07-0 100-02-7

文献：Um, Ik-Hwan; Chung, Eun-Kyung; Lee, So-Mi Canadian Journal of Chemistry, 1998 , vol. 76, # 6 p. 729 - 737

海关

海关编码	2924299090
中文概述	2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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, 包装
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%