2-Naphthalenecarboxaldehyde

C₁₁H₈OCAS 66-99-9156.18 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₁₁H₈O
Molar mass: 156.18 g/mol
Exact mass: 156.0575 Da
Melting point: 62 °C
Boiling point: 95–96 °C (at 3 Torr)
logP: 2.65Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

66-99-9

SMILES

O=Cc1ccc2ccccc2c1

InChIKey

PJKVFARRVXDXAD-UHFFFAOYSA-N

InChI

InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H

Weigh it out

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Names and synonyms

14 names · show all

2-Naphthaldehyde
β-Naphthaldehyde
β-Naphthylcarboxaldehyde
2-Formylnaphthalene
β-Formylnaphthalene
2-Naphthylcarboxaldehyde
2-Naphthylaldehyde
β-Naphthoaldehyde
NCR 1 (aldehyde)
NCR 1
Naphthalene-2-carbaldehyde
2-Naphthalenealdehyde
NSC 8557
2-Napthaldehyde

Reactions

β-NAPHTHALDEHYDE (2-Naphthaldehyde)product

Work with 2-Naphthalenecarboxaldehyde

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

6-Hydroxy-2-naphthaldehyde78119-82-161 % similar 2,3-Naphthalenedicarboxaldehyde7149-49-756 % similar 2-Vinylnaphthalene827-54-356 % similar 6-Methoxy-2-naphthaldehyde3453-33-655 % similar 6-Quinolinecarbaldehyde4113-04-655 % similar Quinoline-7-carbaldehyde49573-30-055 % similar Isophthalaldehyde626-19-754 % similar 3-Quinolinecarboxaldehyde13669-42-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Naphthalenecarboxaldehyde66-77-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook