1-(Chloromethyl)naphthalene

C₁₁H₉ClCAS 86-52-2176.64 g/mol

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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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

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

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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

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

Similar compounds

α,Α′-Dichloro-O-xylene612-12-459 % similar 1-Ethylnaphthalene1127-76-056 % similar 1-Naphthalenemethanamine118-31-056 % similar 1-Naphthalenemethanol4780-79-456 % similar 2-Chlorobenzyl chloride611-19-854 % similar 1-Naphthaleneacetonitrile132-75-252 % similar 1-Naphthaleneethanol773-99-952 % similar N-Methyl-1-naphthalenemethanamine14489-75-950 % 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