N-(trifluoroacetyl)aminoacetic acid
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Basic information
- CAS
383-70-0- Standard SMILES
O=C(O)CNC(=O)C(F)(F)F- InChIKey
IFAXXCBMQJNCCF-UHFFFAOYSA-N- Molecular formula
- C4H4F3NO3
- Average molar mass
- 171.07 g/mol
- Monoisotopic mass
- 171.01432748
Names & identifiers
- Preferred name
- N-(trifluoroacetyl)aminoacetic acid
- IUPAC
- 2-[(2,2,2-trifluoroacetyl)amino]acetic acid
- English name
- N-(Trifluoroacetyl)glycine
- Molecular formula
- C4H4F3NO3
- Molecular weight
- 171.07
Names & synonyms
383-70-0TFA-GLY-OHN-(Trifluoroacetyl)glycineN-(Trifluoroacetyl)aminoacetic acid2-[(2,2,2-trifluoroacetyl)amino]acetic acidCHEBI:145713DTXSID30191672NSC 306126(2,2,2-TRIFLUOROACETAMIDO)ACETIC ACID2-((2,2,2-trifluoroacetyl)amino)acetic acidRefChem:162440DTXCID70114163
Show more names
TFA-GlyTFA-GLYCINETRIFLUOROACETYL GLYCINEL- trifluoroacetyl glycineglycine,N-(trifluoroacetyl)-N-alpha-Trifluoracetyl-glycinN-ALPHA-TRIFLUOROACETYL-GLYCINE
IFAXXCBMQJNCCF-UHFFFAOYSA-N2-(2,2,2-Trifluoroacetamido)acetic acidN-TrifluoroacetylglycineMFCD00029784N-Trifluoroacetyl glycine(2,2,2-Trifluoroacetyl)glycineTrifluoroacetylglycine[(Trifluoroacetyl)amino]acetic acid
Database identifiers
- CAS
383-70-0- PubChem CID
- 136227
- DTXSID
DTXSID30191672- ChEBI
CHEBI:145713- EC Number
- 828-193-4
- Nikkaji
- J429.865I
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 120 · 120-121 °C
- Boiling point
- 291.6 °C · 291.6°C
- Density
- 1.534 · 1.534
- Flash point
- 130 °C · 130°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, DMSO
- form
- Solid
- pka
- 2.99 · 2.99±0.10(Predicted)
- color
- White
- InChI
- InChI=1S/C4H4F3NO3/c5-4(6,7)3(11)8-1-2(9)10/h1H2,(H,8,11)(H,9,10)
- InChIKey
- IFAXXCBMQJNCCF-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CNC(C(F)(F)F)=O
- CAS DataBase Reference
- 383 · 383-70-0
- NIST Chemistry Reference
- N-(Trifluoroacetyl)aminoacetic acid(383-70-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesN-Trifluoroacetylglycine (cas# 383-70-0) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: N-(trifluoroacetyl)glycine is an N-acylglycine resulting from the formal condensation of the amino group of glycine with the carboxy group of trifluoroacetic acid. It is a N-acylglycine, a secondary carboxamide and a trifluoroacetamide.
Related reactions
12 records
Compound notes
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