944-43-4

• 常用中文名：4-氨基-2,3,5,6-四氟苯甲酸
• 常用英文名：Benzoic acid,4-amino-2,3,5,6-tetrafluoro-
• CAS号：944-43-4
• 分子式：C₇H₃F₄NO₂
• 分子量：209.09800
• 相关类别： 生物化工 氨基酸及其衍生物 其他氨基酸衍生物
• 发布时间：2018-12-26 17:12:31
• 更新时间：2024-01-03 14:51:48
• 下载msds

名称

• 中文名: 4-氨基-2,3,5,6-四氟苯甲酸
• 英文名: 4-Amino-2,3,5,6-tetrafluorobenzoic Acid
• 英文别名: EINECS 213-409-6; MFCD00007647; 4-amino-2,3,5,6-tetrafluorobenzoic acid

物化性质

• 密度: 1.726 g/cm3
• 沸点: 283.6ºC at 760 mmHg
• 熔点: 185-187 °C(lit.)
• 分子式: C₇H₃F₄NO₂
• 分子量: 209.09800
• 闪点: 125.3ºC
• 精确质量: 209.01000
• PSA: 63.32000
• LogP: 2.10460
• 外观性状: 白色至黄色粉末,晶体,结晶粉末和/或大块
• 折射率: 1.529
• 储存条件:

  保持容器密封，储存在阴凉，干燥的地方

• 稳定性:

  常温常压下稳定，避免氧化物接触

• 分子结构:

  1、 摩尔折射率：37.39

  2、 摩尔体积（m³/mol）：121.0

  3、 等张比容（90.2K）：323.7

  4、 表面张力（dyne/cm）：51.1

  5、 极化率（10 ^-24cm ³）：14.82

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.2

  2.氢键供体数量:2

  3.氢键受体数量:7

  4.可旋转化学键数量:1

  5.互变异构体数量:3

  6.拓扑分子极性表面积63.3

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:224

  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：未确定

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：185-187°C

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：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（kPa,25ºC）：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: 4-Amino-2 3 5 6-tetrafluorobenzoic acid 9 9% Material Safety Data Sheet Synonym: CAS: 944-43-4 Section 1 - Chemical Product MSDS Name:4-Amino-2 3 5 6-tetrafluorobenzoic acid 9 9% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 944-43-4 4-Amino-2,3,5,6-tetrafluorobenzoic aci 99% 213-409-6 Hazard Symbols: Not available. Risk Phrases: Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation. Section 4 - FIRST AID MEASURES Eyes: Not available. Skin: Not available. Ingestion: Not available. Inhalation: Not available. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: Not available. Extinguishing Media: Not available. Autoignition Temperature: Not available. Flash Point: Not available. NFPA Rating: Not published. Explosion Limits, Lower: Not available. Upper: Not available. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Not available. Section 7 - HANDLING and STORAGE Handling: Not available. Storage: Not available. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Personal Protective Equipment Eyes: Not available. Skin: Not available. Clothing: Not available. Respirators: Not available. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Not available. Appearance: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Vapor Density: Not available. Evaporation Rate: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Decomposition Temperature: Not available. Solubility: Not available. Specific Gravity/Density: Not available. Molecular Formula: Not available. Molecular Weight: Not available. Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Not available. Hazardous Polymerization: Not available. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 944-43-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Amino-2,3,5,6-tetrafluorobenzoic acid - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA. See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION For further information, contact Fisher Scientific. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION CDG/CPL IMO Not regulated as a hazardous material. IATA Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Canadian TDG No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: WGK (Water Danger/Protection) CAS# 944-43-4: Canada None of the chemicals in this product are listed on the DSL/NDSL list. WHMIS: Not available. CAS# 944-43-4 is not listed on Canada's Ingredient Disclosure List. Exposure Limits US FEDERAL TSCA CAS# 944-43-4 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: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

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): R36/37/38
• 安全声明 (欧洲): S26-S37/39
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2922499990

合成路线

122590-77-6 ~66% 944-43-4

文献：Xia, Yi; Li, Wei; Qu, Fanqi; Fan, Zhijin; Liu, Xiufeng; Berro, Charles; Rauzy, Evelyne; Peng, Ling Organic and Biomolecular Chemistry, 2007 , vol. 5, # 11 p. 1695 - 1701

652-31-3 ~% 944-43-4

文献：Journal of Organic Chemistry, , vol. 31, p. 821 - 824

1548-74-9 ~% 944-43-4

文献：Journal of Organic Chemistry, , vol. 31, p. 821 - 824

124-38-9 700-17-4 ~% 944-43-4

文献：Journal of Organic Chemistry, , vol. 31, p. 746 - 749

海关

海关编码	2922499990
中文概述	2922499990 其他氨基酸及其酯及它们的盐（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:AB(入境货物通关单,出境货物通关单) 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
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	P.进境动植物、动植物产品检疫 Q.出境动植物、动植物产品检疫 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	HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof 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:6.5% General tariff:30.0%