2-(4-Nitroanilino)ethanol
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Basic information
- CAS
1965-54-4- Standard SMILES
O=[N+]([O-])c1ccc(NCCO)cc1- InChIKey
VPRLWNAMKBZKRR-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914219
Names & identifiers
- Preferred name
- 2-(4-Nitroanilino)ethanol
- IUPAC
- 2-(4-nitroanilino)ethanol
- English name
- 2-[(4-NITROPHENYL)AMINO]ETHANOL
- Molecular formula
- C8H10N2O3
- Molecular weight
- 182.18
Names & synonyms
1965-54-42-(4-Nitroanilino)ethanolOUX7X35LLXNSC-103357Ethanol, 2-((4-nitrophenyl)amino)-2-{4-nitroanilino}ethanolRefChem:10613252-[(4-nitrophenyl)amino]ethanol2-((4-Nitrophenyl)amino)ethan-1-ol2-(4-NITROPHENYLAMINO)ETHANOL2-[(4-nitrophenyl)amino]ethan-1-olMFCD00156330
Show more names
TIMTEC-BB SBB006779Ethanol, 2-[(4-nitrophenyl)amino]-
2-(p-Nitroanilino)ethanoln-(2-hydroxyethyl)-4-nitroanilineNSC103357UNII-OUX7X35LLXNCIOpen2_0019062-(4-Nitroanilino)ethanol #SCHEMBL10247002-(4-nitroanilino)-1-ethanol
Database identifiers
- CAS
1965-54-4- PubChem CID
- 266154
- DTXSID
DTXSID40295615- UNII
- OUX7X35LLX
- Nikkaji
- J1.396.109C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 111 · 111-111.5 °C
- Boiling point
- 389.5 · 389.5±22.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- form
- solid
- pka
- 14.57 · 14.57±0.10(Predicted)
- color
- Yellow
- FDA UNII
- 7 X35LLX · OUX7X35LLX
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H317-H311+H331-H315
- Precautionary statements
- 280 · P280-P361+P364-P362+P364
- HS Code
- 2906290090 · 2906290090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2906290090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H302-H317-H311+H331-H315
- Precautionary statements
- P280-P361+P364-P362+P364
Chemistry & industry
Applications
Uses2-[(4-nitrophenyl)amino]ethanol is used to prepare phenylpurinediamine derivatives as a class of reversible kinase inhibitors targeting both EGFR-activating and resistance mutations of lung cancer. It is also used to synthesize benzannulated N-heterocycles via palladium-catalyzed domino intermolecular alkylation/intramolecular amination of functionalized aryl iodides and bromoalkylamines.
Related reactions
17 records
Compound notes
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