Basic information
- CAS
404-27-3- Standard SMILES
O=C(Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F- InChIKey
BLMWCZBKCOBVAM-UHFFFAOYSA-N- Molecular formula
- C8H5F3N2O3
- Average molar mass
- 234.13 g/mol
- Monoisotopic mass
- 234.02522668
Names & identifiers
- Preferred name
- 2,2,2-Trifluoro-N-(4-nitrophenyl)acetamide
- IUPAC
- 2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
- English name
- 2,2,2-Trifluoro-4'-nitroacetanilide
- Molecular formula
- C8H5F3N2O3
- Molecular weight
- 234.13
Names & synonyms
2,2,2-Trifluoro-N-(4-nitrophenyl)acetamide404-27-3N-(p-Nitrophenyl)-2,2,2-trifluoroacetamide2,2,2-Trifluoro-4'-nitroacetanilide2,2,2-Trifluoro-p-nitroacetanilideAcetamide, 2,2,2-trifluoro-N-(4-nitrophenyl)-Acetanilide, 2,2,2-trifluoro-4'-nitro-DTXSID40346914RefChem:80798DTXCID30297986BLMWCZBKCOBVAM-UHFFFAOYSA-NMFCD00132967
Show more names
2,2,2-Trifluoro-N-(4-Nitro-phenyl)-acetamidep-nitrotrifluoroacetanilideSCHEMBL3832753N-trifluoroacetyl-4-nitroanilineSTL377687AKOS003873588DB-320545CS-0327426
Database identifiers
- CAS
404-27-3- PubChem CID
- 616367
- DTXSID
DTXSID40346914- EC Number
- 637-027-8
- Nikkaji
- J104.277G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 149 · 149-150°C
- Boiling point
- 341.5 · 341.5±42.0 °C(Predicted)
- Density
- 1.553 · 1.553±0.06 g/cm3(Predicted)
- pka
- 8.84 · 8.84±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesN-(p-Nitrophenyl)-2,2,2-trifluoroacetamide (cas# 404-27-3) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers12 total
河北凡博医药科技有限公司15588346797
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Compound notes
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