chempirical

1-(2-Chloroethoxy)-4-nitrobenzene

C8H8ClNO3CAS 3383-72-0201.61 g/mol

Open in Covalent MOL file
ON+O−OCl
HalogenNitroTertiary Amine

Properties

Molecular formula
C8H8ClNO3
Molar mass
201.61 g/mol
Exact mass
201.0193 Da
Melting point
67–68 °C
Boiling point
204–206 °C (at 25 Torr)
logP
2.21Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
3383-72-0
SMILES
O=[N+]([O-])c1ccc(OCCCl)cc1
InChIKey
OBCFOPGCTNULTG-UHFFFAOYSA-N
InChI
InChI=1S/C8H8ClNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2

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Names and synonyms

7 names
  • Benzene, 1-(2-chloroethoxy)-4-nitro-
  • Phenetole, β-chloro-p-nitro-
  • 4-(2-Chloroethoxy)nitrobenzene
  • 2-Chloroethyl 4-nitrophenyl ether
  • β-Chloro-4-nitrophenetole
  • 2-(4-Nitrophenoxy)ethyl chloride
  • 4-Nitro-1-(2-chloroethoxy)benzene

Work with 1-(2-Chloroethoxy)-4-nitrobenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

4-Amino-5-chloro-2-methoxybenzoic acid7206-70-4

Elsewhere

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