4-Dimethylamino-2-nitrobenzaldehyde

HCID 291352CAS 56670-20-3

Substructure search Find similar structures

Basic information

Standard SMILES: CN(C)c1ccc(C=O)c([N+](=O)[O-])c1
InChIKey: DHLFXZQEAWYQLC-UHFFFAOYSA-N
Molecular formula: C9H10N2O3
Average molar mass: 194.19 g/mol
Monoisotopic mass: 194.06914218

Names & identifiers

Preferred name: 4-Dimethylamino-2-nitrobenzaldehyde
IUPAC: 4-(dimethylamino)-2-nitrobenzaldehyde
English name: 4-Dimethylamino-2-nitrobenzaldehyde 97
Molecular formula: C9H10N2O3
Molecular weight: 194.19

Names & synonyms

4-Dimethylamino-2-nitrobenzaldehydeDTXSID10303079RefChem:522520DTXCID90254212623-497-14-(dimethylamino)-2-nitrobenzaldehyde56670-20-3NSC1565464-DIMETHYLAMINO-2-NITROBENZALDEHYDE 974-dimethylamino-2-nitro-benzaldehydeMFCD034271654-(dimethylamino)-2-nitro-benzaldehyde

Show more names

4-Dimethylamino-2-nitrobenzaldehyde 97

2-nitro-4-dimethylaminobenzaldehydeSCHEMBL1647170DHLFXZQEAWYQLC-UHFFFAOYSA-NNSC-1565464-Dimethylamino-2-nitrobenzaldehyde 97%AS-814474-Dimethylamino-2-nitrobenzaldehyde, 97%Benzaldehyde, 4-(dimethylamino)-2-nitro-

Database identifiers

CAS: 56670-20-3
PubChem CID: 291352
DTXSID: DTXSID10303079
EC Number: 623-497-1
Nikkaji: J3.082.939E

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 225

Physicochemical properties

Melting point: 117 °C · 117 °C (dec.) (lit.)
Boiling point: 365.5 · 365.5±32.0 °C(Predicted)
Density: 1.286 · 1.286±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: -0.7 · -0.70±0.22(Predicted)
Appearance: White to yellow Solid
InChI: 1S/C9H10N2O3/c1-10(2)8-4-3-7(6-12)9(5-8)11(13)14/h3-6H,1-2H3
InChIKey: DHLFXZQEAWYQLC-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(C=O)c(c1)[N+]([O-])=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses4-Dimethylamino-2-nitrobenzaldehyde may be used to synthesize the following substituted 4-(dimethylamino)-6-nitrobenzaldehydes:5-chloro-4-(dimethylamino)-2-nitrobenzaldehyde3-chloro-4-(dimethylamino)-2-nitrobenzaldehyde3,5-dichloro-4-(dimethylamino)-6-nitrobenzaldehyde