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Substance Name: Trifluoroacetic acid
RN: 76-05-1
UNII: E5R8Z4G708
InChIKey: DTQVDTLACAAQTR-UHFFFAOYSA-N
Note
- A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.
Molecular Formula
- C2-H-F3-O2
Molecular Weight
- 114.0219
- All
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- Toxicity
- Physical Properties
Classification Codes
- Mutation Data
- Reproductive Effect
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Names and Synonyms
Name of Substance
- Trifluoroacetic acid
MeSH Heading
- Trifluoroacetic acid
Synonyms
- 4-02-00-00458 (Beilstein Handbook Reference)
- AI3-28549
- BRN 0742035
- EC 200-929-3
- EINECS 200-929-3
- HSDB 7508
- Kyselina trifluoroctova
- Kyselina trifluoroctova [Czech]
- NSC 77366
- Perfluoroacetic acid
- Trifluoracetic acid
- Trifluoroacetic acid
- Trifluoroethanoic acid
- UNII-E5R8Z4G708
Systematic Names
- Acetic acid, 2,2,2-trifluoro-
- Acetic acid, trifluoro-
- Trifluoroacetic acid
Superlist Names
- Trifluoroacetic acid
- Trifluoroacetic acid [UN2699] [Corrosive]
- UN2699
Registry Numbers
CAS Registry Number
- 76-05-1
FDA UNII
- E5R8Z4G708
System Generated Number
- 0000076051
Structure Descriptors
InChI
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)InChIKey
DTQVDTLACAAQTR-UHFFFAOYSA-NSmiles
OC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 13500mg/m3 (13500mg/m3) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(3), Pg. 13, 1966. |
| mouse | LD50 | intravenous | 1200mg/kg (1200mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Annales Medicinae Experimentalis et Biologiae Fenniae. Vol. 46, Pg. 242, 1968. |
| mouse | LDLo | intraperitoneal | 150mg/kg (150mg/kg) | Toxicology and Applied Pharmacology. Vol. 15, Pg. 83, 1969. | |
| rat | LC50 | inhalation | 10gm/m3 (10000mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(3), Pg. 13, 1966. |
| rat | LDLo | oral | 500mg/kg (500mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(3), Pg. 13, 1966. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -1.52E+01 | deg C | EXP | |
| Boiling Point | 73 | deg C | EXP | |
| pKa Dissociation Constant | 0.52 | (none) | 25 | EXP |
| log P (octanol-water) | 0.500 | (none) | EST | |
| Water Solubility | 1.00E+06 | mg/L | 20 | EXP |
| Vapor Pressure | 110 | mm Hg | 25 | EXP |
| Henry's Law Constant | 1.11E-07 | atm-m3/mole | 25 | EXP |
| Atmospheric OH Rate Constant | 5.20E-13 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.