3-(5-Nitro-2-furyl)acrolein
Properties
- Molecular formula
- C7H5NO4
- Molar mass
- 167.12 g/mol
- Exact mass
- 167.0219 Da
- Melting point
- 117–120 °C
- logP
- 1.40Crippen estimate
- Polar surface area
- 73.3 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
- H341 Suspected of causing genetic defects100% of notifiers
- H361 Suspected of damaging fertility or the unborn child100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1874-22-2SMILES
O=CC=Cc1ccc([N+](=O)[O-])o1InChIKey
DXWCZMGIIFEEPU-UHFFFAOYSA-NInChI
InChI=1S/C7H5NO4/c9-5-1-2-6-3-4-7(12-6)8(10)11/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 2-Propenal, 3-(5-nitro-2-furanyl)-
- 3-(5-Nitro-2-furanyl)-2-propenal
- 2-Furanacrolein, 5-nitro-
- β-(5-Nitro-2-furyl)acrolein
- 5-Nitro-2-furylacrolein
- 2-(5-Nitro-2-furyl)acrolein
- 5-Nitrofuracrolein
- (5-Nitrofuryl)acrolein
- β-(5-Nitro-2-furanyl)acrolein
- 5-Nitro-2-furanacrolein
- β-(5-Nitrofuryl)acrolein
- 3-(5-Nitro-2-furyl)propenal
Work with 3-(5-Nitro-2-furyl)acrolein
Similar compounds
5-Nitrofurfural698-63-565 % similar
3-(5-Nitro-2-furyl)acrylic acid6281-23-856 % similar
4-Nitrocinnamaldehyde1734-79-850 % similar
4-Nitrocinnamaldehyde49678-08-250 % similar
2-Nitrocinnamaldehyde1466-88-248 % similar
Furagin1672-88-446 % similar
Nitrovin804-36-446 % similar
Nitrofurazone59-87-044 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds