2,6-Dimethyl-4-nitroaniline

HCID 28159CAS 16947-63-0

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc([N+](=O)[O-])cc(C)c1N
InChIKey: NSBSVUUVECHDDX-UHFFFAOYSA-N
Molecular formula: C8H10N2O2
Average molar mass: 166.18 g/mol
Monoisotopic mass: 166.07422757

Names & identifiers

Preferred name: 2,6-Dimethyl-4-nitroaniline
IUPAC: 2,6-dimethyl-4-nitroaniline
English name: 2-6-Dimethyl-4-nitroaniline
Molecular formula: C8H10N2O2
Molecular weight: 166.18

Names & synonyms

2,6-dimethyl-4-nitroanilineRefChem:445686605-554-216947-63-0Benzenamine, 2,6-dimethyl-4-nitro-2,6-DIMETHYL-4-NITROBENZENAMINE2-6-DIMETHYL-4-NITROANILINEMFCD002110682,6-Dimethyl-4-nitro-aniline4-Nitro-2,6-xylidine2,6-Dimethyl-4-nitro-phenylamine2,6-DIMETHYL-4-NITROANALINE

Show more names

BENZENE DERIVATIVE(2,6-DIMETHYL-4-NITROANILINE)

2TW9QVR29NNSC-101580NSC101580Lidocaine Impurity 36UNII-2TW9QVR29N2,6-dimethyl-4nitroaniline2,6-Xylidine, 4-nitro-SCHEMBL3600387

Database identifiers

CAS: 16947-63-0
PubChem CID: 28159
DTXSID: DTXSID60168716
UNII: 2TW9QVR29N
EC Number: 605-554-2
Nikkaji: J141.323F

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 166

Physicochemical properties

Melting point: 165 °C · 165 °C
Boiling point: 352.6 · 352.6±37.0 °C(Predicted)
Density: 1.22 · 1.220±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Solid
pka: 0.76 · 0.76±0.20(Predicted)
color: Brown
FDA UNII: 2 TW9QVR29N · 2TW9QVR29N
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302+H312+H332-H315
Precautionary statements: 280 · P280-P301+P312-P362+P364
HS Code: 2921420090 · 2921420090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.