trichloroacetic acid

• ChemBase ID: 92076
• Molecular Formular: C2HCl3O2
• Molecular Mass: 163.38714
• Monoisotopic Mass: 161.90421231
• SMILES: OC(=O)C(Cl)(Cl)Cl
• Canonical SMILES: OC(=O)C(Cl)(Cl)Cl
• InChI: InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
• InChIKey: YNJBWRMUSHSURL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloroacetic acid
• IUPAC Traditional name: trichloroacetic acid
• Synonyms: 2,2,2-trichloroacetic acid; Deblock trichloroacetic acid solution; TCA Deblock; Trichloroacetic acid, ACS; TCA; Trichloroacetic acid 99%; Trichloroacetic acid solution; Deblock trichloroacetic acid solution; Trichloroethanoic Acid; Aceto-caustin; Acide trichloracetique; Acido tricloroacetico; Dow sodium inhibited; Konesta; Trichloressigsaeure; Varitox; TRICHLOROACETIC ACID, ACS; TRICHLOROACETIC ACID; TRICHLOROACETIC ACID 0.60 N SOLUTION; TRICHLOROACETIC ACID, 0.38 N SOLUTION; TRICHLOROACETIC ACID 0.18 N SOLUTION; TRICHLOROACETIC ACID 0.73 N SOLUTION; TRICHLOROACETIC ACID, 0.49 N SOLUTION; TRICHLOROACETIC ACID 6.1 N SOLUTION; Trichloroacetic acid; 脱保护三氯乙酸溶液; TCA 脱保护溶液; 三氯乙酸, ACS; 三氯乙酸 溶液; 脱保护三氯乙酸溶液; 三氯乙酸

Database IDs

• CAS Number: 76-03-9
• EC Number: 200-927-2
• MDL Number: MFCD00004177
• Beilstein Number: 970119
• Merck Index: 149627
• PubChem SID: 24900233; 24900550; 24862859; 24858446; 24899186; 24856470; 24874249; 24900373; 24889459; 24867684; 24899909; 24899882; 24900586; 24860472; 162078774; 24889460
• PubChem CID: 6421
• CHEMBL: 14053
• KEGG ID: C11150
• Wikipedia Title: Trichloroacetic_acid

CALCULATED PROPERTIES

• Acid pKa: 1.7156028
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8084882
• LogD (pH = 7.4): -1.9973965
• Log P: 1.5290427
• Molar Refractivity: 28.1583 cm^3
• Polarizability: 10.98023 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.5 M at 20 °C, clear, colorless; Soluble in 0.1 parts in water
• Apperance: Crystalline; White solid
• Melting Point: 52-58°C; 54-58 °C(lit.); 54-58°C; 57 - 58°C; ca. 56 °C
• Boiling Point: 196 - °C; 196 °C(lit.); 196°C; 196°C; 197 °C at 1013 hPa; 39.8-40 °C(lit.)
• Flash Point: >113 °C; >113°C; >235.4 °F; 100 °C; 110 °C; 212 °F; 230 °F
• Density: 1.327 g/mL at 25 °C(lit.); 1.332 g/mL at 20 °C; 1.61 g/cm^3; 1.62; 1.62 g/mL at 25 °C(lit.); 1.629; 1.63 g/cm3
• Refractive Index: n20/D 1.62(lit.)
• Vapor Pressure: 1 mmHg ( 51 °C); 1.2 hPa at 50 °C
• Vapor Density: <1 (vs air); 5.6 (air = 1)
• Absorption Wavelength: λ: 260 nm Amax: 1.60; λ: 280 nm Amax: 0.15
• pKa: 0.66
• Turbidity: ≤3 NTU (1 g/ml)
• pH: <1.0 (25 °C, 0.5 M in H2O)

Safety Information

• Storage Condition: 2-8°C; Room Temperature (15-30°C); Room Temperature (15-30°C), Desiccate
• Storage Warning: Corrosive/Hygroscopic/Store under Argon; Hygroscopic
• RTECS: AJ7875000
• European Hazard Symbols: Corrosive (C); Corrosive (C); Dangerous for the environment (N); Nature polluting (N); Harmful (Xn)
• UN Number: 1593; 1839; 2564; 2922; UN1839
• German water hazard class: 2
• Hazard Class: 6.1; 8
• Packing Group: 2; 3; II
• Australian Hazchem: 2X
• Risk Statements: 34-50/53; 35-50/53; 36/37/38-40-50/53; R:35; R35, R50/53
• Safety Statements: 26-36/37/39-45-60-61; 26-36/37/39-45-61; 26-36/37-61; S:26-45-24/25; S1/2, S26, S36/37/39,; S45, S60, S61
• EU Classification: C10; C9
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• NFPA704:
  

  1

  3

  0
• LD50: 5000 mg/kg orally in rats
• GHS Hazard statements: H314-H335-H410; H314-H400-H410; H314-H410; H315-H318-H335-H351-H410
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P273-P280-P305 + P351 + P338-P310-P501; P261-P273-P280-P305 + P351 + P338-P501; P273-P280-P305 + P351 + P338-P310-P501
• 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); Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1593 6.1/PG 3; UN 1839 8/PG 2; UN 2564 8/PG 2; UN 2922 8/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0%; ≥98.0% (T); ≥99%; ≥99.0%; ≥99.0% (T); ≥99.0% (titration); ≥99.5%; ≥99.5% (T); 98%; 99%; 99-100.5% (calc. to the dried substance)
• Concentration: ~10 % (w/v); ~100 % (w/v); ~6.25 % (w/v); 0.38 N; 3 % (w/v) in methylene chloride; 6.1 N
• Grade: ACS; ACS reagent; analytical standard; biotech. grade; for DNA synthesis; for electrophoresis; JIS special grade; PESTANAL®, analytical standard; puriss.; puriss. p.a.; purum; purum p.a.; REAGENT; reagent grade
• Packaging: ampule of 100 mg; ampule of 1000 mg
• Suitability: complies for appearance of solution; suitable for fixing solution (for IEF and PAGE gels)
• Ignition Residue: ≤0.01% (as SO4); ≤0.02% (as SO4); ≤0.03%; ≤0.03% (as SO4); ≤0.05%; ≤0.05% (as SO4)
• Impurities: ≤0.0005% Phosphorus (P); ≤0.002% heavy metals (as Pb); ≤0.005% water insolubles; ≤0.01% insoluble matter; ≤0.01% water; ≤0.1% Insoluble matter; insoluble matter, passes filter test; Substances darkened by sulfuric acid, passes test
• Cation Traces: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.005%; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.0005%; Fe: ≤0.001%; Fe: ≤10 mg/kg; Fe: ≤20 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤0.002%; heavy metals: ≤0.002%; K: ≤0.01%; K: ≤100 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤100 mg/kg; Na: ≤50 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.001%; chloride (Cl-): ≤0.002%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤30 mg/kg; chloride (Cl-): ≤50 mg/kg; nitrate (NO3-): ≤0.002%; nitrate (NO3-): ≤20 mg/kg; phosphate (PO43-): ≤10 mg/kg; phosphate (PO43-): ≤5 mg/kg; phosphate (PO43-): ≤5 ppm; sulfate (SO42-): ≤0.02%; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤200 mg/kg; sulfate (SO42-): ≤500 mg/kg
• Loss on Drying: ≤0.5% loss on drying, 18 h (on silica gel)
• Quality: for the determination of Fe in blood according to Heilmeyer; meets analytical specification of Ph. Eur., USP 21
• λ: 0.5 M in H2O
• Product Line: BioUltra
• Linear Formula: Cl3CCOOH
• Empirical Formula (Hill Notation): C2HCl3O2

DETAILS

MP Biomedicals - 02196060

0.49 N Solution
Approx. 8% (w/v)

MP Biomedicals - 02152592

ACS Reagent Grade
Purity: ≥99.0%

MP Biomedicals - 02196057

6.1 N Solution
Approx. 100% (w/v)

MP Biomedicals - 02196058

0.73 N Solution
Approx. 12% (w/v)

MP Biomedicals - 02196062

0.18 N Solution
Approx. 3% (w/v)

MP Biomedicals - 02196059

0.60 N Solution
Approx. 10% (w/v)

MP Biomedicals - 02196061

0.38 N Solution
Approx. 6.25% (w/v)

MP Biomedicals - 02190521

Crystalline
Protein precipitation reagent

Sigma Aldrich - 251399

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.

Sigma Aldrich - 91228

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.
Other Notes
Concentration of protein by quantitative precipitation1; Cytochemical demonstration of DNA with a thiazine dye2

Sigma Aldrich - T0324

Components
Contains 0.025% sodium azide as a preservative
Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation.Used as a decalcifier and fixative in microscopy.

Sigma Aldrich - T0699

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation.Used as a decalcifier and fixative in microscopy.

Sigma Aldrich - T8657

Application
传统上用于沉淀蛋白质。用于通过定量沉淀测定蛋白质浓度。用作脱钙剂和显微镜样品的固定剂。
包装
1 kg in glass bottle
250, 500 g in glass bottle

Sigma Aldrich - 31267

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - T4885

Application
传统上用于沉淀蛋白质。用于通过定量沉淀测定蛋白质浓度。用作脱钙剂和显微镜样品的固定剂。
包装
1, 2 kg in glass bottle
500 g in glass bottle

Sigma Aldrich - 30-3905

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.
Suitability
for biological purposes

Sigma Aldrich - 33731

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.

Sigma Aldrich - 30-3890

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.

Sigma Aldrich - 91232

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.

Sigma Aldrich - 30566

Application
Reagent used in the phosphite triester method of oligonucleotide synthesis for the cleavage of the 5′-protect ing group. Reagent is suitable for use on ABI, Beckman, Expedite synthesizers.
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation.Used as a decalcifier and fixative in microscopy.
General description
filtered through a 1 μm filter

Sigma Aldrich - T6399

Application
传统上用于沉淀蛋白质。用于通过定量沉淀测定蛋白质浓度。用作脱钙剂和显微镜样品的固定剂。
包装
1 kg in glass bottle
5, 100, 250, 500 g in glass bottle

Sigma Aldrich - 561932

Packaging
4×2.5, 4×4 L in glass bottle
View returnable container options.

Sigma Aldrich - 91230

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.
Other Notes
Protein denaturant1

Sigma Aldrich - 442820

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.

Sigma Aldrich - PS34

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.

Sigma Aldrich - T0199

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation.Used as a decalcifier and fixative in microscopy.

Sigma Aldrich - 522082

Application
Suitable for protein sequencing
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.
Packaging
100 g in glass bottle

Sigma Aldrich - 116114

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.
Packaging
100 g in glass bottle
2 kg in glass bottle

Sigma Aldrich - 27242

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.

Sigma Aldrich - T9159

Application
传统上用于沉淀蛋白质。用于通过定量沉淀测定蛋白质浓度。用作脱钙剂和显微镜样品的固定剂。
包装
100, 250, 500 g in glass bottle

Sigma Aldrich - 91233

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.

Sigma Aldrich - 49948

Application
Traditionally used to precipitate protein. Has been used to determine protein concentration by quantitative precipitation. Used as decalcifier and fixative in microscopy.

REFERENCES

• Trihaloacetic acids react with aldehydes in DMSO at room temperature to give trihalomethyl carbinols: J. Chem. Soc., Perkin 2, 1247 (1984):
  
• The acid and its Na salt (1:1) in DMF are also effective: Tetrahedron Lett., 33, 3435 (1992). Use of HMPA or DMI extends the scope to less reactive aldehydes: Synthesis, 327 (1990).