1-(Chloromethyl)naphthalene

C11H9ClCAS 86-52-2176.64 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C11H9Cl
Molar mass
176.64 g/mol
Exact mass
176.0393 Da
Density
1.174 g/mL (at 20 °C)
Melting point
32 °C
Boiling point
291.5 °C
logP
3.58Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

Identifiers

CAS number
86-52-2
SMILES
ClCc1cccc2ccccc12
InChIKey
XMWGTKZEDLCVIG-UHFFFAOYSA-N
InChI
InChI=1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2

Weigh it out

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

Names and synonyms

9 names
  • Naphthalene, 1-(chloromethyl)-
  • α-(Chloromethyl)naphthalene
  • 1-Naphthylmethyl chloride
  • α-Naphthylmethyl chloride
  • 1-Naphthalenylmethyl chloride
  • NSC 8473
  • 1-Naphthalylmethyl chloride
  • 1-(Chloromethyl)naphthalen
  • 1-Chloromethylnaphthalene

Reactions

Work with 1-(Chloromethyl)naphthalene

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Chloromethylnaphthalene35255-58-4

Similar compounds

1,2-Di(alpha-naphthyl)ethane15374-45-563 % similar α,α′-Dichloro-o-xylene612-12-459 % similar 1-Ethylnaphthalene1127-76-056 % similar 1-Naphthalenemethanamine118-31-056 % similar 1-(Bromomethyl)naphthalene3163-27-756 % similar 1-Naphthalenemethanol4780-79-456 % similar 2-Chlorobenzyl chloride611-19-854 % similar 1-Naphthaleneacetonitrile132-75-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Chloromethyl)naphthalene2506-41-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook