351-36-0

• 常用中文名：3-乙酰氨基三氟甲苯
• 常用英文名：3-(trifluoromethyl)acetanilide
• CAS号：351-36-0
• 分子式：C₉H₈F₃NO
• 分子量：203.16100
• 相关类别： 有机原料 有机氟化合物 氟甲苯系列
• 发布时间：2018-09-13 15:58:25
• 更新时间：2024-01-02 16:35:26

名称

• 中文名: 3-乙酰氨基三氟甲苯
• 英文名: N-[3-(trifluoromethyl)phenyl]acetamide
• 中文别名: 3-(三氟甲氧基)乙酰胺
• 英文别名: m-Trifluoromethyl acetanilide; N-acetyl-3-trifluoromethylbenzenamine; 3-CF3C6H4NHAc; USAF MA-14; 3-Trifluoromethylacetanilide; 3-Acetamidobenzotrifluoride; m-Acetaminobenzotrifluoride; EINECS 206-512-2; MFCD00000383

物化性质

• 密度: 1.302g/cm3
• 沸点: 292ºC at 760mmHg
• 熔点: 103-106ºC
• 分子式: C₉H₈F₃NO
• 分子量: 203.16100
• 闪点: 130.4ºC
• 精确质量: 203.05600
• PSA: 29.10000
• LogP: 2.73680
• 外观性状: 白色至灰白色晶体或结晶粉末
• 折射率: 1.495
• 储存条件: Room temperature.
• 分子结构:

  1、 摩尔折射率：45.50

  2、 摩尔体积（m³/mol）：156.0

  3、 等张比容（90.2K）：368.2

  4、 表面张力（dyne/cm）：31.0

  5、 极化率（10 ^-24cm ³）：18.03

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:4

  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29.1

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:215

  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:

  一、物性数据

  性状：不可用

  密度（g/mL,25/4℃）：不可用

  相对蒸汽密度（g/mL,空气=1）：不可用

  熔点（ºC）：103-106

  沸点（ºC,常压）：不可用

  沸点（ºC,5.2kPa）：不可用

  折射率：不可用

  闪点（ºC）：不可用

  比旋光度（º）：不可用

  自燃点或引燃温度（ºC）：不可用

  蒸气压（kPa,25ºC）：不可用

  饱和蒸气压（kPa,60ºC）：不可用

  燃烧热（KJ/mol）：不可用

  临界温度（ºC）：不可用

  临界压力（KPa）：不可用

  油水（辛醇/水）分配系数的对数值：不可用

  爆炸上限（%,V/V）：不可用

  爆炸下限（%,V/V）：不可用

  溶解性：不可用

MSDS

Name: 3-Acetamidobenzotrifluoride Material Safety Data Sheet Synonym: ,,-Trifluoro-m-acetotoluidide; 3-Trifluoromethylacetanilid CAS: 351-36-0 Section 1 - Chemical Product MSDS Name:3-Acetamidobenzotrifluoride Material Safety Data Sheet Synonym:,,-Trifluoro-m-acetotoluidide; 3-Trifluoromethylacetanilid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 351-36-0 3-Acetamidobenzotrifluoride >98 206-512-2 Hazard Symbols: XN Risk Phrases: 22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed.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: Immediately 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: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant 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, then place into a suitable 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. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 351-36-0: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides 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: Crystalline powder Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 103.00 - 106.00 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: CH3CONHC6H4CF3 Molecular Weight: 203.16 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents; strong bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 351-36-0: AN3740000 LD50/LC50: CAS# 351-36-0: Oral, mouse: LD50 = 550 mg/kg. Carcinogenicity: 3-Acetamidobenzotrifluoride - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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: XN Risk Phrases: R 22 Harmful if swallowed. Safety Phrases: WGK (Water Danger/Protection) CAS# 351-36-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 351-36-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 351-36-0 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

毒理学数据: 二、毒理学数据： 急性毒性：不可用。 生态学数据: 三、生态学数据： 1、其它有害作用：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 : AN3740000 CHEMICAL NAME : m-Acetotoluidide, alpha,alpha,alpha-trifluoro- CAS REGISTRY NUMBER : 351-36-0 BEILSTEIN REFERENCE NO. : 2213222 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C9-H8-F3-N-O MOLECULAR WEIGHT : 203.18 WISWESSER LINE NOTATION : FXFFR CMV1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 550 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 19,20,1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 250 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

安全

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): 26-36
• WGK德国: 3
• RTECS号: AN3740000
• 海关编码: 2924299090

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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%