Basic information
- CAS
86-49-7- Standard SMILES
CCN(CC)c1ccc([N+](=O)[O-])cc1Cl- InChIKey
PCVJAZCSKCCKPQ-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2O2
- Average molar mass
- 228.67 g/mol
- Monoisotopic mass
- 228.0665554
Names & identifiers
- Preferred name
- Benzenamine, 2-chloro-N,N-diethyl-4-nitro-
- IUPAC
- 2-chloro-N,N-diethyl-4-nitroaniline
- English name
- 2-chloro-N,N-diethyl-4-nitroaniline
- Molecular formula
- C10H13ClN2O2
- Molecular weight
- 228.68
Names & synonyms
86-49-7Benzenamine, 2-chloro-N,N-diethyl-4-nitro-EINECS 201-675-6DTXSID0058938RefChem:561686DTXCID50485042-Chloro-N,N-diethyl-4-nitroaniline2-Chloro-N,N-diethyl-4-nitrobenzenamineAniline, 2-chloro-N,N-diethyl-4-nitro-(2-chloro-4-nitrophenyl)diethylamineN-(2-Chloro-4-nitrophenyl)-N,N-diethylamine #AKOS005147656
Show more names
N,N-Diethyl-2-chloro-4-nitroaniline
NS00039130
Database identifiers
- CAS
86-49-7- PubChem CID
- 66580
- DTXSID
DTXSID0058938- EC Number
- 201-675-6
- Nikkaji
- J192.635G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 326.7 · 326.7±27.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- 1.58 · 1.58±0.50(Predicted)
- form
- Solid
- CAS DataBase Reference
- 86 · 86-49-7
- EPA Substance Registry System
- 2 · Benzenamine, 2-chloro-N,N-diethyl-4-nitro- (86-49-7)
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 2-chloro-N,N-diethyl-4-nitro-: INACTIVE
Suppliers1 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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