4-Chloro-5-methyl-2-nitrophenol

C7H6ClNO3CAS 7147-89-9187.58 g/mol

Open in Covalent MOL file
OHN+OO−Cl
Aryl halideNitroPhenol

Properties

Molecular formula
C7H6ClNO3
Molar mass
187.58 g/mol
Exact mass
187.0036 Da
Melting point
133 °C
logP
2.26Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
7147-89-9
SMILES
Cc1cc(O)c([N+](=O)[O-])cc1Cl
InChIKey
JBMGJOKJUYGIJH-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO3/c1-4-2-7(10)6(9(11)12)3-5(4)8/h2-3,10H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Phenol, 4-chloro-5-methyl-2-nitro-
  • m-Cresol, 4-chloro-6-nitro-
  • 4-Chloro-3-methyl-6-nitrophenol
  • 4-Chloro-6-nitro-m-cresol
  • 4-Chloro-6-nitro-3-methylphenol
  • NSC 28451
  • 4-Chloro-6-nitro-3-cresol

Work with 4-Chloro-5-methyl-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

4,5-Dichloro-2-nitrophenol39224-65-273 % similar 4,5-Dichloro-2-nitrotoluene7494-45-363 % similar 4,6-Dinitroresorcinol616-74-063 % similar 2-Chloro-4-fluoro-5-nitrotoluene112108-73-359 % similar 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-659 % similar 5-Fluoro-4-methyl-2-nitrophenol83341-28-059 % similar 2,4-Dichloro-5-nitrophenol39489-77-557 % similar 5-Chloro-2,4-dinitrotoluene51676-74-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-2-methoxy-4-nitrobenzene1009-36-5 1-Chloro-4-methoxy-2-nitrobenzene10298-80-3 2-Chloro-6-methoxypyridine-4-carboxylic acid15855-06-8 4-Chloro-2-nitrobenzenemethanol22996-18-5 2-(Chloromethyl)-4-nitrophenol2973-19-5 2-Chloro-6-methyl-3-nitrophenol39183-20-5 2-Chloro-1-methoxy-4-nitrobenzene4920-79-0 2-Chloro-6-methoxypyridine-3-carboxylic acid503000-87-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook