Basic information
- CAS
7756-00-5- Standard SMILES
CC(=O)Nc1ccc(NC(C)=O)c([N+](=O)[O-])c1[N+](=O)[O-]- InChIKey
DGNNIDWBARYYSR-UHFFFAOYSA-N- Molecular formula
- C10H10N4O6
- Average molar mass
- 282.21 g/mol
- Monoisotopic mass
- 282.06003405
Names & identifiers
- Preferred name
- N,N'-(2,3-Dinitro-1,4-phenylene)bisacetamide
- IUPAC
- N-(4-acetamido-2,3-dinitrophenyl)acetamide
- English name
- N,N'-(2,3-DINITRO-1,4-PHENYLENE) BISACETAMIDE
- Molecular formula
- C10H10N4O6
- Molecular weight
- 282.21
Names & synonyms
N,N'-(2,3-Dinitro-1,4-phenylene)bisacetamideRefChem:821633654-051-47756-00-5N-(4-acetamido-2,3-dinitrophenyl)acetamideDTXSID80398952DGNNIDWBARYYSR-UHFFFAOYSA-NAKOS024319194DB-041279ST50410003N,N'-(2,3-dinitro-1,4-phenylene)diacetamideN,N'-(2,3-dinitrobenzene-1,4-diyl)diacetamide
Show more names
N,N'-(2,3-DINITRO-1,4-PHENYLENE) BISACETAMIDEAcetamide,N,N'-(2,3-dinitro-1,4-phenylene)bis-N,N'-(2,3-Dinitro-1,4-phenylene)-bisacetamide,97%
N-[4-(acetylamino)-2,3-dinitrophenyl]acetamideAcetamide, N,N'-(2,3-dinitro-1,4-phenylene)bis-
Database identifiers
- CAS
7756-00-5- PubChem CID
- 4065950
- DTXSID
DTXSID80398952- EC Number
- 654-051-4
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Melting point
- 254 °C · 254°C
- Boiling point
- 424.83 °C · 424.83°C (rough estimate)
- Density
- 1.4655 · 1.4655 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- pka
- 12.07 · 12.07±0.70(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 317 · H317-H301
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H317-H301
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…