1-Naphthalenecarboxaldehyde
Properties
- Molecular formula
- C11H8O
- Molar mass
- 156.18 g/mol
- Exact mass
- 156.0575 Da
- Density
- 1.066 g/mL (at 30 °C)
- Melting point
- 33.5 °C
- Boiling point
- 292 °C
- logP
- 2.65Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H290 May be corrosive to metals41.4% of notifiers
- H301 Toxic if swallowed42.1% of notifiers
- H302 Harmful if swallowed56.4% of notifiers
- H312 Harmful in contact with skin42.9% of notifiers
- H314 Causes severe skin burns and eye damage41.4% of notifiers
- H315 Causes skin irritation11.3% of notifiers
- H318 Causes serious eye damage41.4% of notifiers
- H412 Harmful to aquatic life with long lasting effects41.4% of notifiers
Aggregated from 133 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P390, P405, P406, P501
Identifiers
CAS number
66-77-3SMILES
O=Cc1cccc2ccccc12InChIKey
SQAINHDHICKHLX-UHFFFAOYSA-NInChI
InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- 1-Naphthaldehyde
- α-Naphthaldehyde
- 1-Naphthylaldehyde
- 1-Formylnaphthalene
- α-Naphthylaldehyde
- α-Naphthylcarboxaldehyde
- 1-Naphthylcarboxaldehyde
- α-Naphthalenecarboxaldehyde
- α-Naphthoaldehyde
- Naphthalene-1-carbaldehyde
- Naphthalene-1-aldehyde
- NSC 6106
- 4-Naphthalene-1-carboxaldehyde
Reactions
Work with 1-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Isoquinoline-5-carboxaldehyde80278-67-760 % similar
Phthalaldehyde643-79-859 % similar
Isoquinoline-4-carbaldehyde22960-16-359 % similar
9-Phenanthrenecarboxaldehyde4707-71-557 % similar
1-Bromo-2-naphthalenecarboxaldehyde3378-82-357 % similar
2,3-Naphthalenedicarboxaldehyde7149-49-756 % similar
1-Vinylnaphthalene826-74-456 % similar
1-Pyrenecarboxaldehyde3029-19-455 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.