3-Amino-N,N-dimethyl-4-nitroaniline

HCID 2733451

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Basic information

CAS: 2069-71-8
Standard SMILES: CN(C)c1ccc([N+](=O)[O-])c(N)c1
InChIKey: WJTOMXLUNDWLCY-UHFFFAOYSA-N
Molecular formula: C8H11N3O2
Average molar mass: 181.19 g/mol
Monoisotopic mass: 181.08512659

Names & identifiers

Preferred name: 3-Amino-N,N-dimethyl-4-nitroaniline
IUPAC: 1-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine
English name: 3-Amino-N,N-dimethyl-4-nitroaniline
Molecular formula: C20H29FO3
Molecular weight: 336.44

Names & synonyms

3-Amino-N,N-dimethyl-4-nitroaniline20691-71-8N1,N1-dimethyl-4-nitrobenzene-1,3-diamine2069-71-8MFCD013206771-N,1-N-dimethyl-4-nitrobenzene-1,3-diamine1,3-Benzenediamine, N1,N1-dimethyl-4-nitro-5-dimethylamino-2-nitroaniline3-amino N,N-dimethyl 4-nitro anilineN1,N1-dimethyl-4-nitro-benzene-1,3-diamineSCHEMBL719267SCHEMBL30443281

Show more names

3-AMINO-4-NITRO-N,N-DIMETHYLANILINE3-AMINO-N,N-DIMMETHYL-4-NITROANILINE3-AMINO-NN-DIMETHYL-4-NITROANILINE 97%3-Amino-N,N-dimethyl-4-nitroaniline,97%Androst-4-en-3-one, 6α-fluoro-11β,17β-dihydroxy-17-methyl- (6CI,8CI)

DTXSID60942896WJTOMXLUNDWLCY-UHFFFAOYSA-N3-amino-4-nitrodimethylaminobenzeneGEO-00120(3-amino-4-nitrophenyl)dimethylamineAKOS005254393N, N-Dimethyl-3-Amino-4-NitroanilineDA-43302

Database identifiers

CAS: 2069-71-8、20691-71-8
PubChem CID: 2733451
DTXSID: DTXSID60942896
EC Number: 113-595-8
Nikkaji: J82.998F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 75.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 190

Physicochemical properties

Melting point: 134 · 134-139 °C
Boiling point: 314.3 °C · 314.3°C (rough estimate)
Density: 1.2444 · 1.2444 (rough estimate)
refractive index: 1.74 · 1.7400 (estimate)
form: Powder
color: Yellow-brown
CAS DataBase Reference: 2069 · 2069-71-8
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
HS Code: 29214200 · 29214200

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.