Benzenamine, N,N-diethyl-3-nitro-
Basic information
- CAS
2216-16-2- Standard SMILES
CCN(CC)c1cccc([N+](=O)[O-])c1- InChIKey
QSNHMSRICSDACJ-UHFFFAOYSA-N- Molecular formula
- C10H14N2O2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.10552769
Names & identifiers
- Preferred name
- Benzenamine, N,N-diethyl-3-nitro-
- IUPAC
- N,N-diethyl-3-nitroaniline
- English name
- 3-Diethylamino-1-nitrobenzene
- Molecular formula
- C10H14N2O2
- Molecular weight
- 194.23
Names & synonyms
N,N-Diethyl-3-nitroaniline2216-16-2Benzenamine, N,N-diethyl-3-nitro-N,N-diethyl-3-nitrobenzenamineDTXSID0062260RefChem:561941DTXCID1036622634-981-7N,N-Diethyl-m-nitroanilineMFCD000244593-Nitro-N,N-diethylanilinediethyl(3-nitrophenyl)amine
Show more names
TIMTEC-BB SBB008082N N-DIETHYL-M-NITROANILINEdiethyl-(3-nitrophenyl)amine3-Diethylamino-1-nitrobenzene3-Nitro-N,N-diethylbenzenaminen,n-diethyl-3-nitro-benzenamin
m-nitrodiethylanilineN,N-diethyl-3-nitro-anilinem-Nitro-N,N-diethylanilineSCHEMBL5813680SCHEMBL27676624SBB008082AKOS006342968AC-22826
Database identifiers
- CAS
2216-16-2- PubChem CID
- 75186
- DTXSID
DTXSID0062260- EC Number
- 634-981-7
- Nikkaji
- J29.611B
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 187
Physicochemical properties
- Melting point
- 77.5 °C · 77.5°C (estimate)
- Boiling point
- 289.05 °C · 289.05°C
- Density
- 1.127 · 1.127
- refractive index
- 1.6358 · 1.6358 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.22 · 4.22±0.30(Predicted)
- EPA Substance Registry System
- -3 · Benzenamine, N,N-diethyl-3-nitro- (2216-16-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- TSCA
- TSCA listed
- HS Code
- 2921490090 · 2921490090
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
Warning
H302 (100%): 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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2921490090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, N,N-diethyl-3-nitro-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
2 records
Compound notes
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