6758-40-3

• 常用中文名：N-对硝基苯甲酰-L-谷氨酸
• 常用英文名：P-NITROBENZOYL-L-GLUTAMIC ACID
• CAS号：6758-40-3
• 分子式：C₁₂H₁₂N₂O₇
• 分子量：296.23300
• 相关类别： 生物化工 氨基酸及其衍生物 谷氨酸类衍生物
• 发布时间：2018-09-02 10:38:25
• 更新时间：2024-01-09 10:50:51
• 该品为维生素M（叶酸）的中间体。

名称

• 中文名: N-对硝基苯甲酰谷氨酸
• 英文名: p-nitrobenzoyl-l-glutamic acid
• 中文别名: N-对硝基苯甲酰-L-谷氨酸; N-对硝基苯甲酰-L-谷氨酸半水合物
• 英文别名: N-<4-Nitro-benzoyl>-L-glutaminsaeure; EINECS 229-820-9; MFCD00149508; p-Nitrobenzoyl-L-(+)-glutamic acid; N-P-Nitro-Benzoylglutamic Acid; N-<4-nitro-benzoyl>-L-glutamic acid; N-(4-Nitrobenzoyl)-L-glutamic acid hemihydrate; N-(P-NITROBENZOYL)-L-GLUTAMIC ACID HEMI-HYDRATE; (2S)-2-[(4-NITROBENZOYL)AMINO]PENTANEDIOATE

物化性质

• 密度: 1.501 g/cm3
• 沸点: 619.9ºC at 760 mmHg
• 熔点: 117-118ºC(lit.)
• 分子式: C₁₂H₁₂N₂O₇
• 分子量: 296.23300
• 闪点: 328.7ºC
• 精确质量: 296.06400
• PSA: 149.52000
• LogP: 1.55670
• 外观性状: 灰白色粉末
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  避免与强氧化剂接触。

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：0.5

  2、 氢键供体数量：3

  3、 氢键受体数量：7

  4、 可旋转化学键数量：6

  5、 互变异构体数量：2

  6、 拓扑分子极性表面积（TPSA）：147

  7、 重原子数量：21

  8、 表面电荷：0

  9、 复杂度：424

  10、 同位素原子数量：0

  11、 确定原子立构中心数量：1

  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：固体结晶

  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）：117-118

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，12mmHg）：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,217ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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: N-(p-nitrobenzoyl)-l-glutamic acid hemi- hydrate 98% Material Safety Data Sheet Synonym: None CAS: 6758-40-3 Section 1 - Chemical Product MSDS Name:N-(p-nitrobenzoyl)-l-glutamic acid hemi- hydrate 98% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 6758-40-3 N-(p-nitrobenzoyl)-l-glutamic acid hem 98.0 229-820-9 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. 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: 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. 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 appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. 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. Remove contaminated clothing and wash before reuse. 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: Keep container closed when not in use. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 6758-40-3: 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: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: @ 760.00mm Hg Freezing/Melting Point: 117.00 - 118.00 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C12H12N2O7.0.5H2O Molecular Weight: 305.25 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, strong oxidants. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6758-40-3 unlisted. LD50/LC50: Not available. Carcinogenicity: N-(p-nitrobenzoyl)-l-glutamic acid hemi- hydrate, - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable 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# 6758-40-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6758-40-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6758-40-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• WGK德国: 3
• 海关编码: 2924299090

合成路线

56-86-0 122-04-3 ~65% 6758-40-3

文献：Yilmaz, Hayrullah; Topal, Giray; Cakmak, Resit; Hosgoren, Halil Chirality, 2010 , vol. 22, # 2 p. 252 - 257

7148-24-5 ~% 6758-40-3

文献：Journal of the Chemical Society, , p. 1401,1404

56-86-0 ~% 6758-40-3

文献：Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, , vol. 277, p. 197,203 Journal of the Chemical Society, , p. 1401,1404

122-04-3 ~% 6758-40-3

文献：Yakugaku Zasshi, , vol. 69, p. 457 Chem.Abstr., , p. 3442

上下游产品

上游产品  3
56-86-0 122-04-3 7148-24-5
下游产品  2
4271-30-1 13726-52-8

制备

由对硝基苯甲酰氯与谷氨酸缩合而得。

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%