Basic information
- CAS
80260-77-1- Standard SMILES
O=[N+]([O-])c1ccccc1Nc1c2ccccc2nc2ccccc12- InChIKey
QEPQNYIXWTVWDP-UHFFFAOYSA-N- Molecular formula
- C19H13N3O2
- Average molar mass
- 315.3 g/mol
- Monoisotopic mass
- 315.10077667
Names & identifiers
- Preferred name
- N-(2-nitrophenyl)acridin-9-amine
- IUPAC
- N-(2-nitrophenyl)acridin-9-amine
- English name
- Acridin-9-yl-(2-nitro-phenyl)-amine
- Molecular formula
- C19H13N3O2
- Molecular weight
- 315.33
Names & synonyms
N-(2-nitrophenyl)acridin-9-amine80260-77-1Acridin-9-yl-(2-nitro-phenyl)-amineMLS000856314CHEMBL295344SCHEMBL1863070QEPQNYIXWTVWDP-UHFFFAOYSA-NHMS2685A03AKOS000599191NCGC00245144-01SMR0002792599-Acridinamine, N-(2-nitrophenyl)-
Database identifiers
- CAS
80260-77-1- PubChem CID
- 53323
- ChEMBL
CHEMBL295344- EC Number
- 688-626-6
- Nikkaji
- J1.062.689G
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 430
Experimental & physicochemical properties
Solubility<0.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 486.3 · 486.3±30.0 °C(Predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- pka
- 7.55 · 7.55±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H301-H413
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
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, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, 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
- H319-H301-H413
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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