Basic information
- CAS
837-64-9- Standard SMILES
CCN(CC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
RAYYZJTYTUPECK-UHFFFAOYSA-N- Molecular formula
- C10H13N3O4
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.0906059
Names & identifiers
- Preferred name
- N,N-Diethyl-2,4-dinitroaniline
- IUPAC
- N,N-diethyl-2,4-dinitroaniline
- English name
- 2,4-Dinitro-N,N-diethylaniline
- Molecular formula
- C10H13N3O4
- Molecular weight
- 239.23
Names & synonyms
N,N-diethyl-2,4-dinitroanilineRefChem:822251651-138-9837-64-92,4-DINITRO-N,N-DIETHYLANILINEBenzenamine, N,N-diethyl-2,4-dinitro-AI3-08862N,N-DIETHYL-2,4-DINITROBENZENAMINEAniline, N,N-diethyl-2,4-dinitro-NSC-42401NSC42401NSC 42401
Show more names
N1,N1-DIETHYL-2,4-DINITROANILINE(2,4-dinitrophenyl)-diethyl-amine
RRN5TNU9NGOprea1_240051SCHEMBL1524806SCHEMBL6047870(2,4-dinitrophenyl)diethylamineDTXSID70232533RAYYZJTYTUPECK-UHFFFAOYSA-N(2,4-Dinitro-phenyl)-diethyl-amine
Database identifiers
- CAS
837-64-9- PubChem CID
- 70045
- DTXSID
DTXSID70232533- UNII
- RRN5TNU9NG
- EC Number
- 651-138-9
- Nikkaji
- J47.542D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- FDA UNII
- 5 TNU9NG · RRN5TNU9NG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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