Basic information
- CAS
2216-15-1- Standard SMILES
CCN(CC)c1ccc([N+](=O)[O-])cc1- InChIKey
CFPIZMWTMRWZRO-UHFFFAOYSA-N- Molecular formula
- C10H14N2O2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.10552769
Overview
N,n-diethyl-4-nitrobenzenamine appears as yellow needles (from ligroin) or yellow crystalline mass. (NTP, 1992)
Names & identifiers
- Preferred name
- N,N-Diethyl-4-nitrobenzenamine
- IUPAC
- N,N-diethyl-4-nitroaniline
- English name
- N,N-DIETHYL-4-NITROANILINE
- Molecular formula
- C10H14N2O2
- Molecular weight
- 194.23
Names & synonyms
N,N-Diethyl-4-nitroanilinep-Nitro-N,N-diethylanilineBenzenamine, N,N-diethyl-4-nitro-N,N-Diethyl-4-nitrobenzenamineEINECS 218-685-1UNII-I9FVR3896II9FVR3896IDiethyl-(4-nitrophenyl)amineDTXSID7025057DIETHYL-4-NITROBENZENAMINE, N,N-RefChem:161166DTXCID805057
Show more names
TIMTEC-BB SBB007638NITRO(-P)-N,N-DIETHYLANILINE1-diethylamino-4-nitrobenzenen,n-diethyl-4-nitro-benzenamin4-Nitro-N,N-diethylbenzenamine
CFPIZMWTMRWZRO-UHFFFAOYSA-N2216-15-1N,N-Diethyl-p-nitroanilineMFCD00043606diethyl(4-nitrophenyl)amine4-nitro-n,n-diethylanilineAniline, N,N-diethyl-p-nitro- (6CI,7CI,8CI); N,N-Diethyl-4-nitrobenzenamine; 4-(Diethylamino)nitrobenzene; 4-Nitro-N,N-diethylaniline; p-Nitro-N,N-diethylanilineSCHEMBL160430
Database identifiers
- CAS
2216-15-1- PubChem CID
- 75185
- DTXSID
DTXSID7025057
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Density1.225 (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point171 to 172 °F (NTP, 1992)
Physical DescriptionN,n-diethyl-4-nitrobenzenamine appears as yellow needles (from ligroin) or yellow crystalline mass. (NTP, 1992)
Physicochemical properties
- Melting point
- 76 °C · 76 °C
- Boiling point
- 350.68 °C · 350.68°C (rough estimate)
- Density
- 1.225 · 1.2250
- refractive index
- 1.6358 · 1.6358 (estimate)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.
Hazard information
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: A structurally similar chemical causes methemoglobinemia. (NTP, 1992)
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile
A nitrated aromatic amine. Amines are combustible. The combustion of amines yields noxious NOx. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, N,N-diethyl-4-nitro-: INACTIVE
Applications
General DescriptionYellow needles (from ligroin) or yellow crystalline mass.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers5 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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