ChemicalBook--->CAS DataBase List--->431-47-0

431-47-0

431-47-0 Structure

431-47-0 Structure
IdentificationMore
[Name]

Methyl trifluoroacetate
[CAS]

431-47-0
[Synonyms]

METHYL TRIFLUOROACETATE
TRIFLUOROACETIC ACID METHYL ESTER
Acetic acid, trifluoro-, methyl ester
trifluoro-aceticacimethylester
TFAME
Methyltrifluoroacetate,97%
Trifluoroacetic Acid Methyl Ether
Methyl trifluoroacetate 99%
2,2,2-TRIFLOUROMETHYLACETATE(TFAMT)
Methyltrifluoroacetate99%
Methyltrifluoracetat
Mthyl trifluoroacetate
Methyl trifluoroacetate, 98+%
Methyl 2,2,2-trifluoroacetate
Methyl perfluoroacetate
[EINECS(EC#)]

207-074-5
[Molecular Formula]

C3H3F3O2
[MDL Number]

MFCD00000417
[Molecular Weight]

128.05
[MOL File]

431-47-0.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Melting point ]

-78 °C
[Boiling point ]

43-43.5 °C (lit.)
[density ]

1.273 g/mL at 25 °C(lit.)
[vapor pressure ]

5.77 psi ( 20 °C)
[refractive index ]

n20/D 1.291(lit.)
[Fp ]

19 °F
[storage temp. ]

0-6°C
[solubility ]

8g/l
[form ]

Liquid
[color ]

Clear colorless
[Specific Gravity]

1.273
[PH]

7 (8g/l, H2O, 20℃)
[explosive limit]

6.1-24.8%(V)
[Water Solubility ]

8 g/L
[Sensitive ]

Moisture Sensitive
[BRN ]

1756070
[Henry's Law Constant]

1.1×10-3 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
[Dielectric constant]

11.460000000000001
[Stability:]

Volatile
[InChI]

1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3
[InChIKey]

VMVNZNXAVJHNDJ-UHFFFAOYSA-N
[SMILES]

COC(=O)C(F)(F)F
[LogP]

0.6
[CAS DataBase Reference]

431-47-0(CAS DataBase Reference)
[NIST Chemistry Reference]

CF3C(O)OCH3(431-47-0)
[EPA Substance Registry System]

431-47-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)
GHS02,GHS05
[Signal word ]

Danger
[Hazard statements ]

H225-H314
[Precautionary statements ]

P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

F,C
[Risk Statements ]

R11:Highly Flammable.
R34:Causes burns.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2924 3/PG 2
[WGK Germany ]

1
[F ]

19
[Hazard Note ]

Flammable/Corrosive
[TSCA ]

T
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29159080
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 2
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Trifluoroacetic acid-->tris(trifluoroacetato-O)iodine-->Ethanimidoyl chloride, 2,2,2-trifluoro-N-hydroxy--->TRIFLUOROACETALDEHYDE-->Ethanimidoyl chloride, 2,2,2-trifluoro-N-[(trifluoroacetyl)oxy]--->lead(II) trifluoroacetate-->[BIS(TRIFLUOROACETOXY)IODO]PENTAFLUOROBENZENE-->Trimethoxymethane-->Methanol-->Perfluoroacetyl fluoride-->Trifluoroacetic anhydride-->α,α-Difluorophenylacetic acid
[Preparation Products]

METHYL5,5,5-TRIFLUORO-4-OXOPENTANOATE-->900186-89-2-->Methanol-->Formic acid-->Succinic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl trifluoroacetate(431-47-0).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

Methyl trifluoroacetate has been used as reagent for trifluoroacetylation of amines and amino acids.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 113, p. 700, 1991 DOI: 10.1021/ja00002a063
[General Description]

Methyl trifluoroacetate along with cesium fluoride or cesium chloride and CuI constitutes a valuable trifluoromethylating reagent for substituting aromatic (or heteroaromatic) iodides and bromides. Adsorption of methyl trifluoroacetate on amorphous silica has been investigated. Fragmentation mechanism of generation of metastable ions from methyl trifluoroacetate has been investigated by mass analyzed ion kinetic energy spectra and ab initio molecular orbital calculations.
[Flammability and Explosibility]

Flammable
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl trifluoroacetate(431-47-0)MS
Methyl trifluoroacetate(431-47-0)1HNMR
Methyl trifluoroacetate(431-47-0)13CNMR
Methyl trifluoroacetate(431-47-0)IR1
Methyl trifluoroacetate(431-47-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl trifluoroacetate, 99%(431-47-0)
[Alfa Aesar]

Methyl trifluoroacetate, 98+%(431-47-0)
[Sigma Aldrich]

431-47-0(sigmaaldrich)
[TCI AMERICA]

Methyl Trifluoroacetate,>98.0%(GC)(431-47-0)
431-47-0 suppliers list
Company Name: Shandong Jiaoyang Chemical Co., Ltd  Gold
Telephone: 198 1918 9303/18265196555 18265196555
Website:
Company Name: Shanghai Yihe Biological Technology Co., Ltd.  Gold
Telephone: 021-68882955 17721395025
Website: http://www.yihefd.com/products/
Company Name: Shandong longyue of chemical co., LTD  Gold
Telephone: 15318857512/18660131512; 15318857512
Website: http://lwmlongyue.com/Index.htm
Company Name: Jinan New Era Chemical Co., Ltd.  Gold
Telephone: 0531-84319199 18660131512
Website: http://www.jnxsdchem.com/
Company Name: jinanzhonglanhuagongyouxiangongsi  Gold
Telephone: 15169176553; 15169176553
Website: http://www.zhonglanchem.com/
Company Name: Jinan Fuzhe New Material Co., Ltd.  Gold
Telephone: 00-15169181 15169181281
Website:
Company Name: Jinan Langhua Chemical Co., Ltd  Gold
Telephone: 0531-85906691 18660816586
Website: www.lhchem.cn
Company Name: Xinlian Rui Biomedical Technology (Shandong) Co., Ltd  Gold
Telephone: 0531-84567878 15153173989
Website: www.xlrchem.com
Company Name: Jinan Wanxingda New Material Technology Co., Ltd.  Gold
Telephone: 0531-88064106 18253116016
Website: http://www.wxdchem.cn/
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: 3B Pharmachem (Wuhan) International Co.,Ltd.  
Telephone: 18930552037
Website: www.chemicalbook.com/showsupplierproductslist13285/0_en.htm
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Beijing HwrkChemical Technology Co., Ltd  
Telephone: 89508211 18501085097
Website: http://www.hwrkchemical.com
Company Name: BeiJing Hwrk Chemicals Limted  
Telephone: 0757-86329057 18934348241
Website: www.hwrkchemical.com/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Tags:431-47-0 Related Product Information
407-25-0 433-53-4 76-05-1 96-33-3 383-63-1 143390-89-0 99-76-3 79-20-9 500-73-2 372-31-6 2923-16-2 515823-30-0 3582-05-6 14533-84-7 354-38-1 10009-20-8 3336-58-1 421-53-4