Basic information
- CAS
29549-98-2- Standard SMILES
O=[N+]([O-])c1ccc(NCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
TWJKYTHXLSWGFA-UHFFFAOYSA-N- Molecular formula
- C14H12N6O8
- Average molar mass
- 392.28 g/mol
- Monoisotopic mass
- 392.07166136
Names & identifiers
- Preferred name
- N,N'-Bis(2,4-dinitrophenyl)ethylenediamine
- IUPAC
- N,N'-bis(2,4-dinitrophenyl)ethane-1,2-diamine
- English name
- 1,2-Ethanediamine,N,N'-bis(2,4-dinitrophenyl)- (9CI)
- Molecular formula
- C14H12N6O8
- Molecular weight
- 392.28048
Names & synonyms
N,N'-Bis(2,4-dinitrophenyl)ethylenediamineRefChem:821727660-686-829549-98-2U7WS4H5XLXCHEMBL4564160NSC-226248AI3-30863Ethylenediamine, N,N'-bis(2,4-dinitrophenyl)-1,2-Ethanediamine, N,N'-bis(2,4-dinitrophenyl)-Bis(2,2-diaminoethaneUNII-U7WS4H5XLX
Show more names
1,2-Ethanediamine,N,N'-bis(2,4-dinitrophenyl)- (9CI)
SCHEMBL8107611DTXSID70952042N,4-dinitrophenyl)ethylenediamineBDBM50520024NSC226248STK3180121, N,N'-bis(2,4-dinitrophenyl)-AKOS005435290
Database identifiers
- CAS
29549-98-2- PubChem CID
- 99481
- DTXSID
DTXSID70952042- ChEMBL
CHEMBL4564160- UNII
- U7WS4H5XLX
- EC Number
- 660-686-8
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- FDA UNII
- 7 WS4H5XLX · U7WS4H5XLX
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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