Ethanol, 2-((2,4-dinitrophenyl)amino)-

HCID 74757CAS 1945-92-2
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1ccc(NCCO)c([N+](=O)[O-])c1
InChIKey
OTKBBNLNJMLKDT-UHFFFAOYSA-N
Molecular formula
C8H9N3O5
Average molar mass
227.17 g/mol
Monoisotopic mass
227.05422039

Names & identifiers

Preferred name
Ethanol, 2-((2,4-dinitrophenyl)amino)-
IUPAC
2-(2,4-dinitroanilino)ethanol
English name
2,4-Dinitro-N-(2-hydroxyethyl)aniline
Molecular formula
C8H9N3O5
Molecular weight
227.17

Names & synonyms

2-(2,4-Dinitroanilino)ethanolN-2,4-DinitrophenylethanolamineN-(2-Hydroxyethyl)-2,4-dinitroanilineEthanol, 2-(2,4-dinitroanilino)-Ethanol, 2-((2,4-dinitrophenyl)amino)-NSC 24188BRN 2143603Ethanol, 2-[(2,4-dinitrophenyl)amino]-AI3-16888DTXSID7062083RefChem:592106DTXCID1036098
Show more names
2-(2,4-dinitroanilino)-ethano2,4-DINITRO-N-(2-ETHOXYL) ANLINE2-((2,4-dinitrophenyl)amino)-ethano2-[(2,4-dinitrophenyl)amino]-ethano
1945-92-22,4-Dinitrophenylaminoethanol2-[(2,4-dinitrophenyl)amino]ethan-1-ol2-[(2,4-dinitrophenyl)amino]ethanol2,4-DINITRO-N-(2-HYDROXYETHYL)ANILINEEthanol,2-[(2,4-dinitrophenyl)amino]-2-(2,4-dinitrophenylamino)ethanolN-(2,4-Dinitrophenyl)ethanolamine

Database identifiers

CAS
1945-92-2
PubChem CID
74757
DTXSID
DTXSID7062083
Nikkaji
J78.123A

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
124 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Melting point
90 °C · 90 °C
Boiling point
368.88 °C · 368.88°C (rough estimate)
Density
1.4855 · 1.4855 (rough estimate)
refractive index
1.74 · 1.7400 (estimate)
storage temp.
-20 °C · -20°C
pka
14.49 · 14.49±0.10(Predicted)

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanol, 2-[(2,4-dinitrophenyl)amino]-: INACTIVE

Suppliers23 total

南京凯美西化工有限公司02558748998 18951874644 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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