Basic information
- CAS
22603-53-8- Standard SMILES
N#Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N- InChIKey
RIYSFSQPHCAGLS-UHFFFAOYSA-N- Molecular formula
- C7H4N4O4
- Average molar mass
- 208.13 g/mol
- Monoisotopic mass
- 208.02325462
Names & identifiers
- Preferred name
- 2-Amino-3,5-dinitrobenzonitrile
- IUPAC
- 2-amino-3,5-dinitrobenzonitrile
- English name
- 2-amino-3,5-dinitrobenzonitrile
- Molecular formula
- C7H4N4O4
- Molecular weight
- 208.13
Names & synonyms
2-Amino-3,5-dinitrobenzonitrile22603-53-82-Cyano-4,6-dinitroanilineBenzonitrile, 2-amino-3,5-dinitro-RE81DV5UPAEINECS 245-116-4UNII-RE81DV5UPANSC 510656NSC-510656DTXSID60668122,4-DINITRO-6-CYANOANILINEANTHRANILONITRILE, 3,5-DINITRO-
Show more names
2, 4-dinitro-6-cyanoaniline2-(diethylamino)-N-(4-phenylmethoxyphenyl)propanamide hydrochloride
RefChem:85101DTXCID9036727245-116-423057-66-1NSC510656SCHEMBL2954149CHEMBL2007339SCHEMBL30270558
Database identifiers
- CAS
22603-53-8- PubChem CID
- 89765
- DTXSID
DTXSID6066812- ChEMBL
CHEMBL2007339- UNII
- RE81DV5UPA
- EC Number
- 245-116-4
- Nikkaji
- J286.256E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Melting point
- 217 · 217-218 °C
- Boiling point
- 410.8 · 410.8±45.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- -8.17 · -8.17±0.10(Predicted)
- FDA UNII
- 81 DV5UPA · RE81DV5UPA
- EPA Substance Registry System
- 2 · Benzonitrile, 2-amino-3,5-dinitro- (22603-53-8)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- TSCA
- TSCA listed
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]
P264, P270, P301+P316, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzonitrile, 2-amino-3,5-dinitro-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…