4-Chloro-1-naphthol

C10H7ClOCAS 604-44-4178.62 g/mol

Open in Covalent MOL file
HOCl
Aryl halidePhenol

Properties

Molecular formula
C10H7ClO
Molar mass
178.62 g/mol
Exact mass
178.0185 Da
Melting point
117–118 °C
logP
3.20Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 53 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
604-44-4
SMILES
Oc1ccc(Cl)c2ccccc12
InChIKey
LVSPDZAGCBEQAV-UHFFFAOYSA-N
InChI
InChI=1S/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H

Weigh it out

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

Names and synonyms

8 names
  • 1-Naphthalenol, 4-chloro-
  • 1-Naphthol, 4-chloro-
  • 4-Chloro-1-naphthalenol
  • 4-Chloro-α-naphthol
  • 1-Chloro-4-hydroxynaphthalene
  • 1-Hydroxy-4-chloronaphthalene
  • NSC 44345
  • 1-Chloro-4-naphthol

Work with 4-Chloro-1-naphthol

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

1,4-Naphthalenediol571-60-867 % similar 1,5-Dihydroxynaphthalene83-56-759 % similar 5-Chloro-8-hydroxyquinoline130-16-555 % similar 1-Naphthol90-15-352 % similar 2-Chlorophenol95-57-852 % similar (4-Chloronaphthalen-1-yl)boronic acid147102-97-450 % similar 1-Bromo-4-chloronaphthalene53220-82-950 % similar 4-Bromonaphthalen-1-ol571-57-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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