1-Chloronaphthalene

C10H7ClCAS 90-13-1162.62 g/mol

Open in Covalent MOL file
Cl
Aryl halide

Properties

Molecular formula
C10H7Cl
Molar mass
162.62 g/mol
Exact mass
162.0236 Da
Density
1.1938 g/mL (at 20 °C)
Melting point
−2.5 °C
Boiling point
259.3 °C
Flash point
121 °C (closed cup)
Water solubility
17.4 mg/L
logP
3.49Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number
90-13-1
SMILES
Clc1cccc2ccccc12
InChIKey
JTPNRXUCIXHOKM-UHFFFAOYSA-N
InChI
InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

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

Names and synonyms

8 names
  • Naphthalene, 1-chloro-
  • α-Chloronaphthalene
  • 1-Naphthyl chloride
  • α-Naphthyl chloride
  • 1-Naphthalenyl chloride
  • PCN 1
  • NSC 6166
  • 1-Chloronaphthaline

Work with 1-Chloronaphthalene

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

1,2-Dichlorobenzene95-50-156 % similar 8-Chloroisoquinoline34784-07-154 % similar 5-Chloroisoquinoline5430-45-554 % similar Phenanthrene85-01-853 % similar 1,1′-Binaphthyl604-53-552 % similar Tri(1-naphthyl)phosphine3411-48-152 % similar 9-Chloroanthracene716-53-052 % similar Dibenz[a,h]anthracene53-70-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloronaphthalene91-58-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia