1-Butoxy-4-nitrobenzene

C10H13NO3CAS 7244-78-2195.22 g/mol

Open in Covalent MOL file
ON+OO−
EtherNitro

Properties

Molecular formula
C10H13NO3
Molar mass
195.22 g/mol
Exact mass
195.0895 Da
Melting point
32 °C
Boiling point
150–154 °C (at 5 Torr)
logP
2.77Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
7244-78-2
SMILES
CCCCOc1ccc([N+](=O)[O-])cc1
InChIKey
XCCDVVZINDJESR-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Benzene, 1-butoxy-4-nitro-
  • Ether, butyl p-nitrophenyl
  • Butyl p-nitrophenyl ether
  • Ba 2692
  • p-Nitrophenyl butyl ether
  • p-Nitrobutoxybenzene
  • Butyl 4-nitrophenyl ether
  • 4-Butoxynitrobenzene
  • p-(Butoxy)nitrobenzene
  • NSC 86583

Work with 1-Butoxy-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

Similar compounds

P-Nitrophenetole100-29-871 % similar 1-(2-Bromoethoxy)-4-nitrobenzene13288-06-762 % similar 2-(4-Nitrophenoxy)ethanol16365-27-862 % similar 1-(2-Chloroethoxy)-4-nitrobenzene3383-72-062 % similar p-Nitrophenyl palmitate1492-30-457 % similar p-Nitrophenyl laurate1956-11-257 % similar 2-((4-Nitrophenoxy)methyl)oxirane5255-75-456 % similar 1-Butoxy-2-nitrobenzene7252-51-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

O-(Phenylmethyl)-D-serine10433-52-0 Methyl L-tyrosinate1080-06-4 (S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-56-7 (R)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-57-8 Ethyl 2-formyl-3,5-dimethylpyrrole-4-carboxylate2199-59-9 4-tert-Butyl-2-nitrophenol3279-07-0 3-Methoxy-L-phenylalanine33879-32-2 O-Methyl-D-tyrosine39878-65-4

Elsewhere

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