4-tert-Butyl-2-nitrophenol

C10H13NO3CAS 3279-07-0195.22 g/mol

Open in Covalent MOL file
OHN+OO−
NitroPhenol

Properties

Molecular formula
C10H13NO3
Molar mass
195.22 g/mol
Exact mass
195.0895 Da
Melting point
26–26.5 °C
Boiling point
136–138 °C (at NaN Torr)
logP
2.60Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
3279-07-0
SMILES
CC(C)(C)c1ccc(O)c([N+](=O)[O-])c1
InChIKey
IHGNADPMUSNTJW-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • Phenol, 4-(1,1-dimethylethyl)-2-nitro-
  • Phenol, 4-tert-butyl-2-nitro-
  • 4-(1,1-Dimethylethyl)-2-nitrophenol
  • 2-Nitro-4-tert-butylphenol
  • NSC 36629

Work with 4-tert-Butyl-2-nitrophenol

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

2-Nitro-4-(trifluoromethyl)phenol400-99-768 % similar 4-tert-Butyl-2,6-dinitrophenol4097-49-864 % similar 4-tert-Butyl-1-chloro-2-nitrobenzene58574-05-363 % similar 4-(1,1-Dimethylethyl)-2-nitrobenzenamine6310-19-663 % similar 4-Methyl-2-nitrophenol119-33-559 % similar 2,4-Dinitrophenol51-28-558 % similar 4-Fluoro-2-nitrophenol394-33-257 % similar 4-Amino-2-nitrophenol119-34-655 % 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 3-Methoxy-L-phenylalanine33879-32-2 O-Methyl-D-tyrosine39878-65-4 5-(Pyrrolidin-1-ylmethyl)furan-2-carboxylic acid400750-49-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook