chempirical

1-Chloromethylnaphthalene

C11H9ClCAS 35255-58-4176.64 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
logP
3.58Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
35255-58-4
SMILES
C1=CC=C2C(=C1)C=CC=C2CCl
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

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Names and synonyms

2 names
  • (Chloromethyl)naphthalene
  • Naphthalene, (chloromethyl)-

Work with 1-Chloromethylnaphthalene

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

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-(Chloromethyl)naphthalene86-52-2

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

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