Basic information
- CAS
2709-93-5- Standard SMILES
O=C(Nc1ccc(O)cc1)C(F)(F)F- InChIKey
IKQORWCSZJKSFE-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO2
- Average molar mass
- 205.13 g/mol
- Monoisotopic mass
- 205.03506292
Overview
a probe for hydroxyl radicals; reaction with hydroxyl radicals produces trifluoroacetamide
Names & identifiers
- Preferred name
- N-(4-hydroxyphenyl)trifluoroacetamide
- IUPAC
- 2,2,2-trifluoro-N-(4-hydroxyphenyl)acetamide
- English name
- 4-N-Trifluoroacetamidophenol
- Molecular formula
- C8H6F3NO2
- Molecular weight
- 205.13
Names & synonyms
N-(4-hydroxyphenyl)trifluoroacetamideCF3PAFRefChem:9268742,2,2-trifluoro-N-(4-hydroxyphenyl)acetamide2709-93-54-N-Trifluoroacetamidophenol4-(Trifluoroacetamido)phenol2,2,2-Trifluoro-N-(4-hydroxyphenyl)acetamide; 4-(Trifluoroacetamido)phenol; 4-[(Trifluoroacetyl)amino]phenol; NSC 270273;NSC270273SCHEMBL3549311DTXSID60313441AKOS013919175
Show more names
NSC 270273AcetaMide, 2,2,2-trifluoro-N-(4-hydroxyphenyl)-
FS-1213NSC-270273DB-067730ST51041696F70139F009435
Database identifiers
- CAS
2709-93-5- PubChem CID
- 320996
- DTXSID
DTXSID60313441- EC Number
- 671-281-0
- Nikkaji
- J340.764K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 169 · 169-170°C
- Boiling point
- 120 °C · 120 °C(Press: 0.001 Torr)
- Density
- 1.493 · 1.493
- storage temp.
- 2 · 2-8°C
- solubility
- Acetonitrile (Slightly), Methanol (Slightly)
- pka
- 9.57 · 9.57±0.70(Predicted)
- form
- Solid
- color
- Pink
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses4-Trifluoroacetamidophenol is used to prepare reducing oligosaccharides for linkage to proteins or solid matrices which can be useful as antigens or as affinity chromatography ligands.
Upstream & downstream products
Upstream raw materials
Suppliers18 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
北京康睿智科技有限公司18911799491 · [email protected]
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Related reactions
1 records
Compound notes
Loading…