4-Cyanobenzaldehyde
Properties
- Molecular formula
- C8H5NO
- Molar mass
- 131.13 g/mol
- Exact mass
- 131.0371 Da
- Melting point
- 100.5 °C
- Boiling point
- 133 °C (at 12 Torr)
- logP
- 1.37Crippen estimate
- Polar surface area
- 40.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin89.4% of notifiers
- H315 Causes skin irritation17% of notifiers
- H319 Causes serious eye irritation17% of notifiers
- H332 Harmful if inhaled91.5% of notifiers
- H335 May cause respiratory irritation14.9% of notifiers
Aggregated from 47 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
105-07-7SMILES
N#Cc1ccc(C=O)cc1InChIKey
WZWIQYMTQZCSKI-UHFFFAOYSA-NInChI
InChI=1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzonitrile, 4-formyl-
- Terephthalaldehydonitrile
- Benzaldehyde, p-cyano-
- 4-Formylbenzonitrile
- p-Cyanobenzaldehyde
- p-Formylbenzonitrile
- p-Cyanobenzenecarboxaldehyde
- NSC 5091
Work with 4-Cyanobenzaldehyde
Similar compounds
4,4′-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]13001-40-663 % similar
1,4-Dicyanobenzene623-26-757 % similar
1,4-Benzenedicarboxaldehyde623-27-857 % similar
4-Ethynylbenzaldehyde63697-96-156 % similar
Benzaldehyde100-52-750 % similar
3-Fluoro-5-formylbenzonitrile1003708-42-650 % similar
(1,1'-Biphenyl)-4,4'-dicarbonitrile1591-30-650 % similar
[1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-850 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.