chempirical

2-(Chloromethyl)-4-nitrophenol

C7H6ClNO3CAS 2973-19-5187.58 g/mol

Open in Covalent MOL file
ON+O−OHCl
Alkyl halideNitroPhenol

Properties

Molecular formula
C7H6ClNO3
Molar mass
187.58 g/mol
Exact mass
187.0036 Da
Melting point
129–130 °C
logP
2.04Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

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

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
2973-19-5
SMILES
O=[N+]([O-])c1ccc(O)c(CCl)c1
InChIKey
PJNPZIYGODMAQE-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H,4H2

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Names and synonyms

5 names
  • Phenol, 2-(chloromethyl)-4-nitro-
  • o-Cresol, α-chloro-4-nitro-
  • 2-Hydroxy-5-nitrobenzyl chloride
  • NSC 128135
  • NSC 541

Reactions

Work with 2-(Chloromethyl)-4-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-Hydroxy-5-nitrobenzyl bromide772-33-868 % similar 2,4-Dinitrobenzyl chloride610-57-162 % similar 4-Nitrocatechol3316-09-462 % similar Nitrofungin619-08-959 % similar 2,4-Dinitrophenol51-28-558 % similar 2-Methyl-4-nitrophenol99-53-657 % similar 2-Fluoro-4-nitrophenol403-19-055 % similar 2-Bromo-4-nitrophenol5847-59-655 % 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-Chloro-6-methyl-3-nitrophenol39183-20-5 2-Chloro-1-methoxy-4-nitrobenzene4920-79-0 2-Chloro-6-methoxypyridine-3-carboxylic acid503000-87-1 4-Chloro-3-nitrobenzenemethanol55912-20-4

Elsewhere

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