2-Nitrobenzeneethanol

C8H9NO3CAS 15121-84-3167.16 g/mol

Open in Covalent MOL file
ON+O−HO
AlcoholNitro

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Density
1.253 g/mL (at 22 °C)
Melting point
2 °C
Boiling point
267 °C
Flash point
110 °C
Water solubility
< 1 g/L (22.8 °C)
logP
1.13Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
15121-84-3
SMILES
O=[N+]([O-])c1ccccc1CCO
InChIKey
SLRIOXRBAPBGEI-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,10H,5-6H2

Weigh it out

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

Names and synonyms

10 names
  • Benzeneethanol, 2-nitro-
  • Phenethyl alcohol, o-nitro-
  • 2-(o-Nitrophenyl)ethanol
  • o-Nitrophenethyl alcohol
  • 2-(o-Nitrophenyl)ethyl alcohol
  • 2-Nitrophenethyl alcohol
  • 2-(2-Nitrophenyl)ethanol
  • 2-(2-Hydroxyethyl)nitrobenzene
  • 1-(2-Hydroxyethyl)-2-nitrobenzene
  • 2-(2-Nitrophenyl)ethan-1-ol

Work with 2-Nitrobenzeneethanol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′-Dinitrodibenzyl16968-19-776 % similar 2-Nitrobenzyl alcohol612-25-971 % similar Alpha-Bromo-2-nitrotoluene3958-60-959 % similar 1-Ethyl-2-nitrobenzene612-22-659 % similar 2-Nitrobenzyl chloride612-23-759 % similar 2-Nitrobenzeneacetonitrile610-66-256 % similar (2-Nitrophenyl)acetic acid3740-52-155 % similar HC Yellow 24926-55-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5 Methyl 5-hydroxyanthranilate1882-72-0

Elsewhere

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