三氟乙酸(TFA)

三氟乙酸(TFA)用途

【用途一】
用作医药、农药中间体、生化试剂、有机合成试剂
【用途二】
用于有机合成
【用途三】
该品是许多有机化合物的良好溶剂，与二硫化碳合用，可溶解蛋白质。也是有机反应的优良溶剂。可获得在一般有机溶剂中难以获得的结果。例如，喹啉在一般溶剂中催化氢化时，吡啶环优先氢化，但在三氟乙酸中苯环优先氢化。三氟乙酸用于合成含氟化合物、杀虫剂和染料。是酯化反应和缩合反应的催化剂；羟基和氨基的保护剂，用于糖和多肽的合成。还用作选矿剂。
【用途四】
三氟乙酰化试剂，聚合反应催化剂。与液体二氧化硫混和用以溶解蛋白质。分光光度分析。蛋白质顺序分析。在反相色谱分离多肽和蛋白质的实验中，使用三氟乙酸 (TFA) 作为离子对试剂是常见的手段。流动相中的三氟乙酸通过与疏水键合相和残留的极性表面以多种模式相互作用，来改善峰形、克服峰展宽和拖尾问题。三氟乙酸优于其他离子修饰剂的原因是它容易挥发，可以方便地从制备样品中除去。另一方面，三氟乙酸的紫外最大吸收峰低于 200nm ，对多肽在低波长处的检测干扰很小。三氟乙酸（TFA）是许多有机化合物的良好溶剂，如与二硫化碳合用，可溶解蛋白质。它也是有机反应的优良溶剂，可获得在一般溶剂中难以获得的结果，例如喹啉在一般溶剂中催化氢化时，吡啶环优先氢化，但在三氟乙酸中苯环优先氢化。三氟乙酸在苯胺存在下分解成氟仿和二氧化碳。

三氟乙酸(TFA)名称

[ CAS 号 ]:
76-05-1

[ 中文名 ]:
三氟乙酸

[ 英文名 ]:
trifluoroacetic acid

[中文别名 ]:

[英文别名 ]:

EINECS 200-929-3
TRIFLUOROACETATE
BUFFER A
TFA
tri-fluoro-acetic acid
perfluoroacetic acid
Trifluoroacetic acid
PERFLUOROACETATE
CF3COOH
WASH BUFFER

三氟乙酸(TFA)物理化学性质

[ 密度 ]:
1.535

[ 沸点 ]:
72 ºC

[ 熔点 ]:
-15 °C

[ 分子式 ]:
C₂HF₃O₂

[ 分子量 ]:
114.023

[ 闪点 ]:
-2.5±25.9 °C

[ 精确质量 ]:
113.992867

[ PSA ]:
37.30000

[ LogP ]:
1.24

[ 外观性状 ]:
透明液体

[ 蒸汽密度 ]:
3.9 (vs air)

[ 蒸汽压 ]:
96.2±0.2 mmHg at 25°C

[ 折射率 ]:
1.294

[ 储存条件 ]:
库房通风低温干燥,与H发孔剂、碱类、氰化物分开存放

[ 稳定性 ]:
Stable. Incompatible with combustible material, strong bases, water, strong oxidizing agents. Non-combustible. Hygroscopic. May react violently with bases.

[ 水溶解性 ]:
miscible

三氟乙酸(TFA)MSDS

详细MSDS(安全技术说明书)

三氟乙酸(TFA)毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AJ9625000

CHEMICAL NAME :: Acetic acid, trifluoro-

CAS REGISTRY NUMBER :: 76-05-1

BEILSTEIN REFERENCE NO. :: 0742035

LAST UPDATED :: 199712

DATA ITEMS CITED :: 13

MOLECULAR FORMULA :: C2-H-F3-O2

MOLECULAR WEIGHT :: 114.03

WISWESSER LINE NOTATION :: QVXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - conjunctive irritation Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 10(3),13,1966

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 10 gm/m3

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - conjunctive irritation Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 10(3),13,1966

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 13500 mg/m3

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - conjunctive irritation Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 10(3),13,1966

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 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: 15,83,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1200 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay)

REFERENCE :: AMEBA7 Annales Medicinae Experimentalis et Biologiae Fenniae. (Helsinki, Finland) V.25-51, 1947-73. For publisher information, see MDBYAS. Volume(issue)/page/year: 46,242,1968 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 400 mg/m3/4H/22W-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - proteinuria Blood - changes in leukocyte (WBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 10(3),13,1966 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1650 mg/kg

SEX/DURATION :: female 10-20 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - hepatobiliary system Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

REFERENCE :: JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 17,1,1996 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83936 No. of Facilities: 33 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 66 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83936 No. of Facilities: 159 (estimated) No. of Industries: 4 No. of Occupations: 11 No. of Employees: 8046 (estimated) No. of Female Employees: 1731 (estimated)

三氟乙酸(TFA)安全信息

[ 符号 ]:

GHS05, GHS07

[ 信号词 ]:
Danger

[ 危害声明 ]:
H314-H332-H412

[ 警示性声明 ]:
P273-P280-P305 + P351 + P338-P310

[ 个人防护装备 ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ 危害码 (欧洲) ]:
C:Corrosive

[ 风险声明 (欧洲) ]:
R20;R35;R52/53

[ 安全声明 (欧洲) ]:
S9-S26-S27-S28-S45-S61-S28A-S36/37/39

[ 危险品运输编码 ]:
UN 2699 8/PG 1

[ WGK德国 ]:
2

[ RTECS号 ]:
AJ9625000

[ 包装等级 ]:
I

[ 危险类别 ]:
8

[ 海关编码 ]:
2915900090

三氟乙酸(TFA)合成路线

详细合成路线

三氟乙酸(TFA)上下游产品

三氟乙酸(TFA)上游产品

三氟乙酸(TFA)下游产品

三氟乙酸(TFA)制备

1.以2，3-二氯六氟-2-丁烯氧化制取；

2.以氟为催化剂对2，3－二氯六氟-2-丁烯进行氧化以制取之；

3.由3，3，3-三氟丙烯经高锰酸钾氧化、或由三氯乙腈与氟化氢反应生成三氟乙腈继而水解、或将乙酸（或乙酸酐）进行电化学氟化，都可制得三氟乙酸。

精制方法：在氮气流下蒸馏精制。或加五氧化二磷回流后蒸馏。进一步纯化可分步结晶后再蒸馏。

4.三氟乙酸可由3,3,3,-三氟丙烯经高锰酸钾氧化制得；或由三氯乙腈与氟化氢反应，首先生成三氟乙腈，继而水解制得；也可用乙酸或乙酸酐进行电化学氟化制得。

三氟乙酸(TFA)海关

[ 海关编码 ]: 2915900090

[ 中文概述 ]:
2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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

[ 监管条件 ]: A.入境货物通关单 B.出境货物通关单

[ 检验检疫 ]: R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验

[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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