23399-77-1

• 常用中文名：5-氯-2-碘三氟甲苯
• 常用英文名：4-Chloro-1-iodo-2-(trifluoromethyl)benzene
• CAS号：23399-77-1
• 分子式：C₇H₃ClF₃I
• 分子量：306.451
• 相关类别： 有机原料 有机氟化合物 氟甲苯系列
• 发布时间：2018-06-18 11:17:23
• 更新时间：2024-02-03 19:51:02

名称

• 中文名: 5-氯-2-碘三氟甲苯
• 英文名: 4-chloro-1-iodo-2-(trifluoromethyl)benzene
• 中文别名: 5-氯-2-碘代苯并三氟
• 英文别名: Benzene, 4-chloro-1-iodo-2-(trifluoromethyl)-; 5-Chloro-2-iodobenzotrifluoride; 4-chloro-1-iodo-2-trifluoromethylbenzene; 2-trifluoromethyl-4-chloro iodobenzene; 4-chloro-2-trifluoromethyl phenyl iodide; 4-Chloro-1-iodo-2-(trifluoromethyl)benzene; 4-chloro-2-(trifluoromethyl)-1-iodobenzene; MFCD00042579; 4-chloro-2-trifluoromethyliodobenzene

物化性质

• 密度: 2.0±0.1 g/cm3
• 沸点: 219.6±40.0 °C at 760 mmHg
• 熔点: 29-31 °C
• 分子式: C₇H₃ClF₃I
• 分子量: 306.451
• 闪点: 86.6±27.3 °C
• 精确质量: 305.891998
• LogP: 4.74
• 外观性状: 透明略棕色至棕色液体在熔点后
• 蒸汽压: 0.2±0.4 mmHg at 25°C
• 折射率: 1.537
• 储存条件:

  储存在阴凉，干燥的地方

• 稳定性:

  常温常压下稳定

  避免接触强 氧化剂，强酸
• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.1

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:159

  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

MSDS

Name: 5-Chloro-2-Iodobenzotrifluoride 99% Material Safety Data Sheet Synonym: 4-Chloro-1-Iodo-2-(Trifluoromethyl)Benzen CAS: 23399-77-1 Section 1 - Chemical Product MSDS Name:5-Chloro-2-Iodobenzotrifluoride 99% Material Safety Data Sheet Synonym:4-Chloro-1-Iodo-2-(Trifluoromethyl)Benzen Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 23399-77-1 5-Chloro-2-Iodobenzotrifluoride 99 unlisted 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. The toxicological properties of this material have not been fully investigated. Skin: May cause skin irritation. The toxicological properties of this material have not been fully investigated. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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: 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 agent most appropriate to extinguish fire. 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. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. 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# 23399-77-1: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides).2.5 mg/m3 TWA (as F) (listed under Fluorides). France - VME: (listed as fluorides): 2.5 mg/m3 VME (as F) Germany: (listed as fluorides): 2.5 mg/m3 VME (as F) Malaysia: (listed as fluorides): 2.5 mg/m3 TWA (as F) Netherlands: (listed as fluorides): 3.5 mg/m3 STEL (as F) 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: Liquid above room te Color: clear slight brown Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 29.00 - 31.00 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: insoluble Specific Gravity/Density: 1.9740g/cm3 Molecular Formula: C7H3ClF3I Molecular Weight: 306.44 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. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Irritating and toxic fumes and gases, chlorine, fluoride fumes, fluorine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 23399-77-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-Chloro-2-Iodobenzotrifluoride - 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 Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing Group: III IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 28A After contact with skin, wash immediately with plenty of water. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. 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# 23399-77-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 23399-77-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 23399-77-1 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): C: Corrosive;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S45-S36/37/39-S26
• 海关编码: 2903999090

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海关

海关编码	2903999090
中文概述	2903999090 其他芳烃卤化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 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
Summary	2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%