650-51-1

• 常用中文名：三氯乙酸钠
• 常用英文名：Sodium TCA
• CAS号：650-51-1
• 分子式：C₂Cl₃NaO₂
• 分子量：185.369
• 相关类别： 有机原料 有机金属类化合物 有机钠
• 发布时间：2018-06-29 14:28:57
• 更新时间：2024-01-02 18:53:20
• 是生产某种农药的主要原料

名称

• 中文名: 三氯乙酸钠
• 英文名: TCA-sodium
• 中文别名: 三氯醋酸钠
• 英文别名: Trichloroacetic acid sodium salt; TCA; Acetic acid, 2,2,2-trichloro-, sodium salt (1:1); Sodium trichloroacetic acid; MFCD00064198; sodium,2,2,2-trichloroacetate; EINECS 211-479-2; Sodium TCA; Sodium trichloroacetate; TCA sodium salt; sodium 2,2,2-trichloroacetate

物化性质

• 密度: 1.808g/cm3
• 沸点: 196.499ºC at 760 mmHg
• 熔点: 300 °C
• 分子式: C₂Cl₃NaO₂
• 分子量: 185.369
• 闪点: 66.344ºC
• 精确质量: 183.886154
• PSA: 40.13000
• LogP: 0.10650
• 折射率: 1.518
• 储存条件:

  1.存放在密封容器内，并放在阴凉，干燥处。避免接触湿气和水源。

  2.储存的地方必须远离氧化剂，远离水源。

• 稳定性:

  远离氧化物，水分/水源。

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  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40.1

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:87.8

  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:2

• 更多:

  1. 性状：微白色颗粒。

  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）：＞300

  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：溶于水。溶解度50g/100ml

MSDS

Name: Trichloroacetic acid sodium salt 99% Material Safety Data Sheet Synonym: Sodium trichloroacetate; Sodium TC CAS: 650-51-1 Section 1 - Chemical Product MSDS Name:Trichloroacetic acid sodium salt 99% Material Safety Data Sheet Synonym:Sodium trichloroacetate; Sodium TC Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 650-51-1 Trichloroacetic acid, sodium salt 99.0 211-479-2 Hazard Symbols: XI N Risk Phrases: 37 50/53 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to respiratory system. Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.Hygroscopic (absorbs moisture from the air). Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: May cause respiratory tract irritation. Chronic: Not available. 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. Wash mouth out with 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 chemical 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. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. 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# 650-51-1: 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: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: >300 deg C dec Autoignition Temperature: Not available. Flash Point: 140 deg C ( 284.00 deg F) Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: 140 deg C Solubility in water: soluble in ethanol, methanol, acetone, d Specific Gravity/Density: Molecular Formula: C2Cl3O2Na Molecular Weight: 185.37 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Dust generation, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide, sodium oxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 650-51-1: AJ9100000 LD50/LC50: CAS# 650-51-1: Inhalation, rat: LC50 = >365 gm/m3/4H; Oral, mouse: LD50 = 3600 mg/kg; Oral, rabbit: LD50 = 6 gm/kg; Oral, rat: LD50 = 3320 mg/kg; Skin, rat: LD50 = >2 gm/kg. Carcinogenicity: Trichloroacetic acid, sodium salt - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Ecotoxicity: LC50 (96 hr) common carp 2500 mg/l [Knapek, R. et al Einige Untersuchungen der toxischen Wirkung von Pestiziden im Wasser. Tag.-Ber, Akad Landwirtsch. Wiss. DDR, Berlin 1974, 126, 105-109] LC50 (96 hr) minnow 2000 mg/l [Dennis, W.H. et al Environ. Sci. Technol. 1979, 13(5), 594-598] Not toxic to bees [The Agrochemicals Handbook 3rd ed., 1991, RSC, London] 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 N Risk Phrases: R 37 Irritating to respiratory system. R 50/53 Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Safety Phrases: S 46 If swallowed, seek medical advice immediately and show this container or label. S 60 This material and its container must be disposed of as hazardous waste. S 61 Avoid release to the environment. Refer to special instructions/safety data sheets. WGK (Water Danger/Protection) CAS# 650-51-1: No information available. Canada CAS# 650-51-1 is listed on Canada's NDSL List. CAS# 650-51-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 650-51-1 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、急性毒性：大鼠（口服）LD50： 3,320 mg/kg 大鼠（吸入）LC50： ＞365mg/m3/4H 大鼠（皮上）LD50： ＞2mg/kg 小鼠（口服）LD50： 3,600 mg/kg 猫（口服）LD50：4 mg/kg 兔子（口服）LD50： 6mg/kg 兔子（皮上）LD50： ＞10,100mg/kg 豚鼠（口服）LD50：6mg/kg 鸡（口服）LD50： 4,280 mg/kg 哺乳动物（物种不详）（未报到）LD50： 3,300 mg/kg 由于食盐的LD50是3,000 mg/kg，BPA的急性毒性程度与食盐同。 生态学数据: 对水是危害的，不要让该产品接触地下水，水道污水系统，即使是小量该产品渗入地下水也会对饮用水造成危害，对水中有机物质有毒。若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : AJ9100000 CHEMICAL NAME : Acetic acid, trichloro-, sodium salt CAS REGISTRY NUMBER : 650-51-1 LAST UPDATED : 199801 DATA ITEMS CITED : 16 MOLECULAR FORMULA : C2-Cl3-O2.Na MOLECULAR WEIGHT : 185.36 WISWESSER LINE NOTATION : QVXGGG &-NA- HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3320 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LC50 - Lethal concentration, 50 percent kill ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >365 gm/m3/4H TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3600 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - cat DOSE/DURATION : 4 gm/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 6 gm/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >10100 mg/kg TOXIC EFFECTS : Behavioral - food intake (animal) TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 6 gm/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - chicken DOSE/DURATION : 4280 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Mammal - species unspecified DOSE/DURATION : 3300 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 158 gm/kg/1Y-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors MUTATION DATA TYPE OF TEST : Cytogenetic analysis TEST SYSTEM : Human Lymphocyte DOSE/DURATION : 100 mg/L REFERENCE : TGANAK Tsitologiya i Genetika. Cytology and Genetics. For English translation, see CYGEDX. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 18,318,1984 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X8546 No. of Facilities: 16 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1462 (estimated) No. of Female Employees: 996 (estimated)

安全

• 符号: GHS07, GHS09
• 信号词: Warning
• 危害声明: H335-H410
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi:Irritant;N:Dangerousfortheenvironment;
• 风险声明 (欧洲): R37;R50/53
• 安全声明 (欧洲): S46-S60-S61
• 危险品运输编码: UN 3077 9/PG 3
• WGK德国: 2
• RTECS号: AJ9100000
• 包装等级: III
• 危险类别: 9.0

合成路线

68-12-2 ~% 650-51-1

文献：US4285882 A1, ;

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制备

1.将三氯乙醛和浓硝酸加入反应釜中，加热共溶得三氯乙酸，然后加氢氧化钠水溶液中和，浓缩，结晶，过滤，干燥得产品。反应式如下：

2. 3.2克氢氧化钠溶于12毫升水，冷却后，慢慢倾入含12.8克三氯乙酸的冷却的有侧管的三角瓶中，仅留约工八。的碱备用。·加1滴0.04%溴甲酚绿溶液，借毛细吸管进一步加碱至终点。塞好瓶塞，将瓶子连接吸气泵，瓶子放在蕉气浴的圈中，并用毛巾包裹。蒸发15-20分钟得干的白色块状物，用不锈钢勺弄碎，进一步干燥至恒重，得4.5克。