2-(2-Chloro-6-nitrophenyl)ethanol

HCID 700810

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 102493-68-5
Standard SMILES: O=[N+]([O-])c1cccc(Cl)c1CCO
InChIKey: FLKQZNFLWOPRFX-UHFFFAOYSA-N
Molecular formula: C8H8ClNO3
Average molar mass: 201.61 g/mol
Monoisotopic mass: 201.0192708

Names & identifiers

Preferred name: 2-(2-Chloro-6-nitrophenyl)ethanol
IUPAC: 2-(2-chloro-6-nitrophenyl)ethanol
English name: 2-(2-Chloro-6-nitrophenyl)ethanol
Molecular formula: C8H8ClNO3
Molecular weight: 201.61

Names & synonyms

2-(2-Chloro-6-nitrophenyl)ethanol102493-68-5DTXSID40351462RefChem:250556DTXCID703025282-(2-chloro-6-nitrophenyl)ethan-1-olBenzeneethanol, 2-chloro-6-nitro-MFCD002390183-Chloro-2-(2-hydroxyethyl)nitrobenzene1-chloro-2-(2-hydroxyethyl)-3-nitrobenzene2-Chloro-6-nitro-benzeneethanol2-(6-chloro-2-nitrophenyl)ethan-1-ol

Show more names

Oprea1_156050SCHEMBL4309273FLKQZNFLWOPRFX-UHFFFAOYSA-NALBB-024955SBB0721642-(2-chloro-6-nitro-phenyl)ethanol2-(2-chloro-6-nitrophenyl) ethanolAKOS015998326

Database identifiers

CAS: 102493-68-5
PubChem CID: 700810
DTXSID: DTXSID40351462
Nikkaji: J1.389.495G

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 183

Physicochemical properties

Melting point: 60 · 60-61 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling point: 50 °C · 50 °C(Press: 0.2 Torr)
Density: 1.404 · 1.404±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 14.49 · 14.49±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338