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化学试剂
| 中文名 | 2-氟-6-碘苯甲酸 |
|---|---|
| 英文名 | 2-Fluoro-6-iodobenzoic acid |
| 英文别名 |
MFCD00042289
Benzoic acid, 2-fluoro-6-iodo- 2-Fluoro-6-iodobenzoic acid |
| 密度 | 2.1±0.1 g/cm3 |
|---|---|
| 沸点 | 301.6±27.0 °C at 760 mmHg |
| 熔点 | 123-126 °C(lit.) |
| 分子式 | C7H4FIO2 |
| 分子量 | 266.008 |
| 闪点 | 136.2±23.7 °C |
| 精确质量 | 265.923981 |
| PSA | 37.30000 |
| LogP | 2.13 |
| 外观性状 | 黄色至淡棕色粉末 |
| 蒸汽压 | 0.0±0.7 mmHg at 25°C |
| 折射率 | 1.638 |
| 储存条件 | 密封储存，储存于阴凉、干燥的库房。 |
| 稳定性 | 常温常压下稳定，避免与强氧化剂，强碱接触。 |
| 分子结构 | 1、摩尔折射率：46.08 2、摩尔体积（cm3/mol）：128.2 3、等张比容（90.2K）：352.1 4、表面张力（dyne/cm）：56.8 5、介电常数：无可用的 6、极化率（10-24cm3）：18.26 7、单一同位素质量：265.923993 Da 8、标称质量：266 Da 9、平均质量：266.0083 Da |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:2.2 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:1 5.互变异构体数量:无 6.拓扑分子极性表面积37.3 7.重原子数量:11 8.表面电荷:0 9.复杂度:163 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：浅黄色或棕色粉末 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）：121-126 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC，1.9mmHg）：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,20ºC）：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 |
Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: May cause irritation of the digestive tract. 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. Causes irritation of mucous membrane. 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. 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. 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. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 111771-08-5: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 123 - 126 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: C7H4FIO2 Molecular Weight: 266.01 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas, hydrogen iodide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 111771-08-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Fluoro-6-iodobenzoic acid - 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 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 37/39 Wear suitable gloves and eye/face protection. 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# 111771-08-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 111771-08-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 111771-08-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 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-S36 |
| 危险品运输编码 | NONH for all modes of transport |
| WGK德国 | 3 |
| 海关编码 | 2916399090 |
|
~92%
111771-08-5 |
| 文献：Rausis, Thierry; Schlosser, Manfred European Journal of Organic Chemistry, 2002 , # 19 p. 3351 - 3358 |
|
~79%
111771-08-5 |
| 文献：Mei, Tian-Sheng; Giri, Ramesh; Maugel, Nathan; Yu, Jin-Quan Angewandte Chemie - International Edition, 2008 , vol. 47, # 28 p. 5215 - 5219 |
|
~%
111771-08-5 |
| 文献：Synthesis, , # 4 art. no. T11504SS, p. 617 - 621 |
| 海关编码 | 2916399090 |
|---|---|
| 中文概述 | 2916399090 其他芳香一元羧酸. 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, 丙烯酸、丙烯酸盐或酯应报明包装 |
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
