CAS 76-03-9 MFCD00004177-Trichloroacetic Acid 三氯乙酸 TAO{mole}

Trichloroacetic Acid 三氯乙酸

CAS 76-03-9 MFCD00004177

化学结构图

SMILES: O=C(O)C(Cl)(Cl)Cl

化学属性

Mol. Formula	Cl3CCOOH
Mol. Weight	163
Refractive index	n20/D 1.62(lit.)
Boiling Point	196
Density	1.62
Melting Point	52-58
TSCA	Yes
Vapor Density	<;1 (vs air)
Vapor Pressure	1 mmHg ( 51 °C)
Solubility	120 G/100 ML (20 ºC)
Stability	易吸潮
Flash Point	196°C

别名和识别编码

Chemical Name	Trichloroacetic Acid
Synonym	Acido tricloroacetico {uni_hamburg} 三氯醋酸 Trichloracetic acid {Chemical 三氯乙酸, ACS NA TA ethanoic acid, trichloro- Trichlor Amchem grass killer trichloroacetic acid { TCA (acid) kyselinatrichloroctova acetic acid, trichloro- TKhU Aceto-Caustin acidotricloroacetico 三氯乙酸(TCA) Sodium TCA solution Aceticacid,trichloro- Farmon TCA Trichloromethanecarboxylic acid Acide trichloracetique Varitox Aceto-caustin acidetrichloracetique(solide) Trichloressigsäure RARECHEM AL BO 0072 TCA 三氯乙酸溶液三氯乙酸 acidetrichloracetique(solutions) {Chem
CAS Number	76-03-9
PubChem Substance ID	87576335
Beilstein Registry Number	970119
MDL Number	MFCD00004177
EC Number	200-927-2
Reaxys-RN	970119
Merck Number	9627
Chemical Name Translation	三氯乙酸
Wiswesser Line Notation	QVXGGG
LabNetwork Molecule ID	LN00223783
InChI	InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)

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产品应用

测定氟化物，蛋白质沉淀剂，与三氯化铁共用作胆色素的试剂、显微分析用固定剂。
该品是医药上的除疣剂和收敛剂，三氯乙酸钠是选择性除草剂，主要用作生物化学药品提取剂，如三磷酸腺苷、细胞色素丙和胎盘酯多糖等高效药品的提取，还用作农药的原料。
三氯乙酸与碱溶液共热即分解成氯仿及碳酸碱。

安全信息

GHS Symbol

WGK Germany2

Hazard statements

H290 May be corrosive to metals 可能腐蚀金属。
H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
H335 May cause respiratory irritation 可能导致呼吸道刺激

Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Hazard Codes Xn,N,C,F C,N

Precautionary statements

P273 Avoid release to the environment. 避免释放到环境中。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P501 Dispose of contents/container to..… 处理内容物/容器.....
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P305+P351+P338
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P301+P330+P331
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P304+P340+P310
P303+P361+P353
P308+P313
P403+P233
P305+P351+P338+P310
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P301+P330+P331+P310
P304+P340
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。

Signal word

RTECSAJ7875000

Safety Statements

S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R35 Causes severe burns 会导致严重灼伤
R50/53
R11 Highly flammable 非常易燃
R38 Irritating to skin 刺激皮肤
R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
R34 Causes burns 会导致灼伤
R51/53

UN Number UN1839

Storage condition 极易吸潮，密封保存;储存温度2-8°C;充氩保存极易吸潮，密封保存 0-10°C Hygroscopic 极易吸潮，密封保存;储存温度2-8°C 2-8°C

Packing GroupII

Hazard Class8

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 427 gm/kg/61W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   90,183,1987

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 6,214,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 270 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,879,1982

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 250 ug/plate
REFERENCE :
   CNJGA8 Canadian Journal of Genetics and Cytology.  (National Research
   Council of Canada, Publication Sales and Distribution, Ottawa ON K1A OR6,
   Canada)  V.1-    1959-  Volume(issue)/page/year: 22,35,1980

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 125 mg/kg
REFE

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 188,215,1987

TYPE OF TEST            : Sperm Morphology
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 125 mg/kg/5D
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 188,215,1987

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 343,157,1995

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Bird - chicken
DOSE/DURATION           : 200 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 367,253,

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 8 gm/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 40,445,1989

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 3300 mg/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 40,445,1989

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 125 mg/kg
SEX/DURATION            : male 5 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 188,215,1987

Warnings 危险化学品

其他信息

方法一:其制备方法主要有以下几种。 (1)用三氯乙醛以稀硝酸氧化，反应温度80～100℃。CCl 3 CHO+2HNO 3 →Cl 3 CCOOH+NO 2 ↑+H 2 O (2)以一氯乙酸母液用硫粉为催化剂进一步深度氯化，经结晶而得。ClCH 2 COOH+Cl 2 [S]→Cl 3 CCOOH+2HCl (3)以四氯乙烯为原料，于120℃在紫外线照射下通氧氧化或以四氯乙烯为原料，钛为催化剂，在40～120℃进行水解，均可得到三氯乙酸。Cl 2 CH=CHCl 2 +O 2 →Cl 3 CCOOH+HCl Cl 2 CH=CHCl 2 +2H 2 O→Cl 3 CCOOH+HCl↑+2H 2 ↑
用途一:用作三磷酸腺苷、细胞色素丙和胎盘脂多糖提取剂及蛋白质沉淀剂，也用作农药除草剂和有机合成原料
TCI Shanghai:三氯乙酸 Trichloroacetic Acid,>;99.0%(T)(76-03-9)
用途三:三氯乙酸是杀虫剂毒死蜱的中间体，也是医药中间体。
蒸气压:1 mm Hg ( 51 °C)
有特殊气味，易潮解，不易燃。溶于乙醇、乙醚、丙酮、苯、四氯化碳、己烷、邻二甲苯和水（水中溶解度10g/100ml）。其水溶液呈强酸性，酸性比乙酸强得多，0.2M溶液pH为1.2。与苛性碱溶液共热即分解。燃
用途五:测定氟化物，蛋白质沉淀剂，与三氯化铁共用作胆色素的试剂、显微分析用固定剂。该品是医药上的除疣剂和收敛剂，三氯乙酸钠是选择性除草剂，主要用作生物化学药品提取剂，如三磷酸腺苷、细胞色素丙和胎盘酯多糖等高效药品的提取，还用作农药的原料。三氯乙酸与碱溶液共热即分解成氯仿及碳酸碱。
Alfa Aesar:三氯乙酸,ACS,99% Trichloroacetic aci
蒸气密度:<;1 (vs air)
海关编码:29154000
急性毒性:腹腔- 小鼠 LDL0: 500 毫克/ 公斤
上游原料:硝酸
防护措施:有毒，有刺激性，腐蚀性极强，大鼠经口（LD50）3300mg/kg。设备要求密闭，勿与人体接触，操作人员要戴好防护用品。
外观性质:无色结晶，有刺激性气味，易潮解。
下游产品:氯乙酸 --> 毒死蜱 --> N-4-异丙基苯基-N',N'-二甲基脲 --> 三氯乙酰氯 --> 异唑-5-羧酸 --> 5'-三磷酸胞苷 --> 2-氨基-Α-甲基-(1,1'-联苯)-
方法二:1.由醋酸
用途四:该品是医药上的除疣剂和收敛剂，三氯乙酸钠是选择性除草剂，主要用作生物化学药品提取剂，如三磷酸腺苷、细胞色素丙和胎盘酯多糖等高效药品的提取，还用作农药的原料，蛋白质的沉淀剂和显微镜样品的固定剂。
理化性质:三氯乙酸简称TCA。无色或白色斜方晶系晶体。有强潮解性。有轻微的特殊刺激性气味。有强腐蚀性。相对分子质量163.40。相对密度1.6298(61℃)。熔点57～58℃。沸点 197.5℃、141～142℃(3.333×103Pa)。燃烧热3.0kJ。折射率1.4603(61℃)。蒸气压0.133×103Pa(51℃)。易溶于水，水溶液呈酸性(0.1mol水溶液pH1.2)，溶于乙醇、乙醚，25℃时的溶解度：水1306、甲醇 2143、乙醚617;30%以下的水溶液缓慢分解为氯仿、氯化氢、二氧化碳、一氧化碳等；在稀碱溶液中水解为氯仿和二氧化碳；在浓碱溶液中水解生成甲酸。与强碱作用分解为氯仿和碳酸盐。其水溶液呈强酸性，主要用于有机合成(如药物)，可作为使用显微镜时的去钙剂和固定剂。本品为强烈腐蚀品。三氯乙酸被列为剧毒品，使用时务必充分注意。小鼠经口毒性为3300mg/kg，大鼠经口LD503320mg/kg，能强烈刺激皮肤及组织。当附着于皮肤时会受烧伤。三氯乙酸是一种很强的有机酸，离解常数K=3×10-2。化学性质活泼，其钠盐易脱羧成氯仿，遇LiAlH4会还原成醇，和KBr起卤素置换反应：可由醋酸直接氯代或三氯乙醛经硝酸氧化制得三氯乙酸：CCl3CHO+2HNO3→CCl3COOH+2NO2+H2O。以上信息由Chemicalbook的彤彤编辑整理。