2,2,2-trifluoro-N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)acetamide
Basic information
- CAS
36875-26-0- Standard SMILES
O=CC(NC(=O)C(F)(F)F)C(O)C(O)C(O)CO- InChIKey
AIJZHZABXNACMO-UHFFFAOYSA-N- Molecular formula
- C8H12F3NO6
- Average molar mass
- 275.18 g/mol
- Monoisotopic mass
- 275.06167159
Names & identifiers
- Preferred name
- 2,2,2-trifluoro-N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)acetamide
- IUPAC
- 2,2,2-trifluoro-N-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)acetamide
- English name
- N-Trifluoroacetyl-D-glucosamine
- Molecular formula
- C8H12F3NO6
- Molecular weight
- 275.18
Names & synonyms
36875-26-0AIJZHZABXNACMO-UHFFFAOYSA-NSB479522-Deoxy-2-[(trifluoroacetyl)amino]hexose #GlcNTFAtrifluoroacetylglucosamineN-Trifluoroacetyl-D-glucosamine2-DEOXY-2-TRIFLUOROACETAMIDO-D-GLUCOSEN-TRIFLUOROACETYL-D-GLUCOSAMINE USP/EP/BPN-Trifluoroacetyl-D-glucosamine (GlcNTFA)2-Deoxy-2-trifluoroacetamido-D-glucose ,96%2-DEOXY-2-TRIFLUOROACETAMIDO-D-GLUCOPYRANOSE
Show more names
D-Glucose, 2-deoxy-2-[(2,2,2-trifluoroacetyl)amino]-N-Trifluoroacetyl-D-glucosamine
Database identifiers
- CAS
36875-26-0- PubChem CID
- 549476
- EC Number
- 670-953-0
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Melting point
- 182 °C · 182°C
- Boiling point
- 684.6 · 684.6±55.0 °C(Predicted)
- Density
- 1.602 · 1.602±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, Under Inert Atmosphere
- solubility
- Methanol (Slightly), Water (Sparingly)
- form
- Solid
- pka
- 9.32 · 9.32±0.46(Predicted)
- color
- Pale Yellow to Yellow
- Stability
- Hygroscopic
- CAS DataBase Reference
- 36875 · 36875-26-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 29400090 · 29400090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29400090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses2-Deoxy-2-trifluoroacetamido-D-glucose (cas# 36875-26-0) is a compound useful in organic synthesis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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