4-(Dimethylamino)-3-nitrobenzaldehyde
Basic information
- CAS
59935-39-6- Standard SMILES
CN(C)c1ccc(C=O)cc1[N+](=O)[O-]- InChIKey
BMMZDXZYHYBOOQ-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914219
Names & identifiers
- Preferred name
- 4-(Dimethylamino)-3-nitrobenzaldehyde
- IUPAC
- 4-(dimethylamino)-3-nitrobenzaldehyde
- English name
- 4-(Dimethylamino)-3-nitrobenzaldehyde
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.19
Names & synonyms
4-(dimethylamino)-3-nitrobenzaldehyde59935-39-64-dimethylamino-3-nitro-benzaldehyde4-(Dimethylamino)-3-nitrobenzenecarbaldehydeMFCD00480831Benzaldehyde, 4-(dimethylamino)-3-nitro-NSC156545SCHEMBL7142928CHEMBL1877925SCHEMBL29403345DTXSID50303078BMMZDXZYHYBOOQ-UHFFFAOYSA-N
Show more names
ZINC03886038A0966/0045157
3-Nitro-4-dimethylaminobenzaldehydALBB-025592SBB041185STK397254AKOS000113472LB-0735NSC-156545NCGC00188245-01
Database identifiers
- CAS
59935-39-6- PubChem CID
- 291351
- DTXSID
DTXSID50303078- ChEMBL
CHEMBL1877925- EC Number
- 123-752-2
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 105 · 105-107°C
- Boiling point
- 335.9 · 335.9±37.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- pka
- -0.65 · -0.65±0.30(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2922390090 · 2922390090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2922390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…