| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 7 | No |
Popular Name: Trifluoroacetic acid Trifluoroacetic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1025744-38-0 , 1104083-24-0 , 123333-88-0 , 13257-51-7 , 1466515-56-9 , 151013-23-9 , 16712-29-1 , 1976/5/1 , 207801-31-8 , 21907-47-1 , 21907-50-6 , 23586-53-0 , 2923-16-2 , 2923-17-3 , 2923-18-4 , 2966-50-9 , 32699-43-7 , 3336-58-1 , 36554-89-9 , 36554-90-2 , 4146-73-0 , 42196-31-6 , 464-05-1 , 599-00-8 , 7098-07-9 , 76-05-1 , 94079-71-7 , N/A , [2923-16-2] , [2923-18-4] , [464-05-1] , [76-05-1]
"Trifluoroacetic acid, 99.9% [HPLC grade]"
2-Fluoro-6-(tributylstannyl)pyridine
3-methylazetidin-3-ol; trifluoroacetic acid
3-methylazetidine; trifluoroacetic acid
Acetic acid,2,2,2-trifluoro-, nickel(2+) salt, hydrate (2:1:4)
Allylpalladium(II) trifluoroacetate, dimer
Aluminium trifluoroacetate 97%
Ammonium trifluoroacetate, 98%
CF3CO2 anion; CF3COO(-); tfa; trifluoroacetate; trifluoroacetic acid, ion(1-)
Chromium(III) trifluoroacetate 97%
ethylammonium trifluoroacetate
Europium(III)trifluoroacetatetrihydrate
Lithium trifluoroacetate hydrate
Lithium trifluoroacetate monohydrate, 97%
Lithium trifluoroacetate, monohydrate
Mercury(II) trifluoroacetate, 98+%
Nickel(II)trifluoroacetatetetrahydrate
Palladium(II) 2,2,2-trifluoroacetate
Palladium(II) trifluoroacetate
Palladium(II) trifluoroacetate 98%
Palladium(II) trifluoroacetate, 97%
Potassium 2,2,2-trifluoroacetate
Potassium trifluoroacetate, 98%
Silver(I) trifluoroacetate 98%
Suitable for protein sequence analysis
TFA, 2,2,2-Trifluoroethanoic acid
Thallic trifluoroacetate, tech.
Thallium(III) trifluoroacetate
Thallium(III) trifluoroacetate, 95%
Thallium(III) trifluoroacetate, tech.
Thiophen-2-amine 2,2,2-trifluoroacetate
Trifluoroacetic Acid (ca. 0.5mol/L in Water) [Ion-Pair Reagent for LC-MS]
Trifluoroacetic acid ammonium salt
Trifluoroacetic acid D1 >99.5%
Trifluoroacetic acid lithium salt
Trifluoroacetic acid potassium salt
Trifluoroacetic acid sodium salt
Trifluoroacetic Acid [Sequenation Reagent]
Trifluoroacetic acid, 99%, extra pure
Trifluoroacetic acid, 99+%, for HPLC
Trifluoroacetic acid, ammonium salt, 98%
Trifluoroacetic acid, ammonium salt, Ammonium 2,2,2-trifluoroethanoate
Trifluoroacetic acid, biochemical grade
Trifluoroacetic acid, biochemical grade, 99.5+%
Trifluoroacetic acid, for HPLC
Trifluoroacetic acid, HPLC Grade
Trifluoroacetic acid, HPLC Grade, 99.5+%
Trifluoroacetic acid, potassium salt
Trifluoroacetic acid-d, 99.5%(Isotopic)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.48 | 1.58 | -34.03 | 0 | 2 | -1 | 40 | 113.014 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 15 | Acros Organics |
| Melting_Point | 15? | Alfa-Aesar |
| Melting_Point | 15° | Alfa-Aesar |
| Mp [°C] | 122 - 126 | Acros Organics |
| Melting_Point | 123-126? | Alfa-Aesar |
| Melting_Point | 123-126° | Alfa-Aesar |
| Melting_Point | 142-145? | Alfa-Aesar |
| Melting_Point | 142-145° | Alfa-Aesar |
| MP | 143-145° | Matrix Scientific |
| Melting_Point | 147-153? | Alfa-Aesar |
| Melting_Point | 147-153° | Alfa-Aesar |
| Melting_Point | 167-169? | Alfa-Aesar |
| Melting_Point | 167-169° | Alfa-Aesar |
| Melting_Point | 210? dec. | Alfa-Aesar |
| Melting_Point | 210° dec. | Alfa-Aesar |
| Melting_Point | 213? dec. | Alfa-Aesar |
| Melting_Point | 213° dec. | Alfa-Aesar |
| Melting_Point | 257-260? dec. | Alfa-Aesar |
| Melting_Point | 257-260° dec. | Alfa-Aesar |
| BP [°C] | 72 | Acros Organics |
| Boiling_Point | 72-73? | Alfa-Aesar |
| Boiling_Point | 72-73° | Alfa-Aesar |
| Boiling_Point | 72? | Alfa-Aesar |
| Boiling_Point | 72° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Notes | also reacts with Grignard reagents to give ketones. | Apollo Scientific |
| Hazard | C: Corrosive | Acros Organics |
| Melting_Point | ca 207? dec. | Alfa-Aesar |
| Melting_Point | ca 207° dec. | Alfa-Aesar |
| Notes | Can convert enol silyl ethers to alpha-acyloxy carbonyls, ask for reference. | Apollo Scientific |
| Patent Database Links | EP0778022; EP0794194; EP0818443; EP0822195; EP0829478; EP0839807; EP0872473; EP0872474; EP0879819; EP0891962; EP0900787; EP0919556; EP0926141; EP0926142; EP0967210; EP0969003; EP0974581; EP1020471; EP1031575; EP1048667; EP1095939; EP1110958; EP1110959; EP | ChEBI |
| Patent Database Links | EP0928790; EP1082127; EP1327632; EP1382603; EP1422213; EP1428821; EP1462448; EP1481975; EP1510208; EP1553092; EP1712557; EP1829870; EP1854798; EP1878724; EP1882691; EP1897882; EP1918284; EP1978020; EP1980562; GB1464774; GB2212804; GB2230527; GB2295387; US | ChEBI |
| H phrase | H300: Fatal if swallowed | Acros Organics |
| H phrase | H300: Fatal if swallowed; H330: Fatal if inhaled; H373: May cause damage to organs through prolonged or repeated exposure; H411: Toxic to aquatic life with long lasting effects | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H332: Harmful if inhaled; H412: Harmful to aquatic life with long lasting effects | Acros Organics |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT, MOISTURE SENSITIVE, HYGROSCOPIC | Matrix Scientific |
| Notes | J. Am. Chem. Soc., 102, 3572 (1980):Readily forms p-allylpalladium dimers with acyclic alkenes | Apollo Scientific |
| Notes | Lewis acid catalyst for regioselective alkylation:Helv.Chim.Acta., 1989, 72, 1362 | Apollo Scientific |
| Warnings | Marine Pollutant/Irritant-Harmful/Hygroscopic | Matrix Scientific |
| _Notes | Mass spec standard for HPLC/MS, Org. Mass. Spec., 187, 25, 1990 | Apollo Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P310: Immediately call a POISON CENTER or doctor/physician; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P260 | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R20: Harmful by inhalation. | Acros Organics |
| R phrase | R20: Harmful by inhalation.; R35: Causes severe burns.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| R phrase | R26/28: Very toxic by inhalation and if swallowed. | Acros Organics |
| R phrase | R26/28: Very toxic by inhalation and if swallowed.; R33: Danger of cumulative effects.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S13: Keep away from food, drink and animal feedingstuffs. | Acros Organics |
| S phrase | S13: Keep away from food, drink and animal feedingstuffs.; S28A: After contact with skin, wash immediately with plenty of water.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| S phrase | S9: Keep container in a well-ventilated place. | Acros Organics |
| S phrase | S9: Keep container in a well-ventilated place.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S27: Take off immediately all contaminated clothing.; S28A: After contact with skin, wash immediately with | Acros Organics |
| Notes | Strong organic acid widely used to cleave N-BOC & t-butyl ester groups in peptide synthesisAsk for a bulk quote | Apollo Scientific |
| Notes | Suitable for protein sequence analysis | Apollo Scientific |
| Hazard | T+: Very toxic | Acros Organics |
| Hazard | T+: Very toxic; N: Dangerous for the environment | Acros Organics |
| UniProt Database Links | TCAL1_ATEGE; TCAL1_BOVIN; TCAL1_GORGO; TCAL1_HUMAN; TCAL1_LAGLA; TCAL1_MACMU; TCAL1_MACNE; TCAL1_MOUSE; TCAL1_RAT; TCAL2_HUMAN; TCAL3_HUMAN; TCAL3_MOUSE; TCAL4_HUMAN; TCAL4_PONAB; TCAL5_HUMAN; TCAL5_MOUSE; TCAL6_HUMAN; TCAL7_HUMAN; TCAL7_MOUSE; TCAL7_RAT | ChEBI |
| Notes | treatment with BuLi gives 61% yield of 1,1,1-trifluoro-2-hexanone | Apollo Scientific |
| Notes | Useful for the preparation of trifluoroketones | Apollo Scientific |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.