Basic information
- CAS
64573-26-8- Standard SMILES
O=[N+]([O-])c1cccc(C2Nc3cccc4cccc(c34)N2)c1- InChIKey
BSUMEMPNPZHKGT-UHFFFAOYSA-N- Molecular formula
- C17H13N3O2
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.10077667
Overview
2-(3-nitrophenyl)-2,3-dihydro-1H-perimidine is a member of naphthalenes.
Names & identifiers
- Preferred name
- 2-(3-nitrophenyl)-2,3-dihydro-1H-perimidine
- IUPAC
- 2-(3-nitrophenyl)-2,3-dihydro-1H-perimidine
- English name
- 2-{3-nitrophenyl}-2,3-dihydro-1H-perimidine
- Molecular formula
- C17H13N3O2
- Molecular weight
- 291.3
Names & synonyms
2-(3-nitrophenyl)-2,3-dihydro-1H-perimidine64573-26-8F0282-01182-{3-nitrophenyl}-2,3-dihydro-1H-perimidine2-(3-Nitro-phenyl)-2,3-dihydro-1H-perimidineOprea1_431460Oprea1_657616MLS000570470CHEMBL1438364SCHEMBL13035690CHEBI:105450SMSSF-0041932
Show more names
1H-Perimidine, 2,3-dihydro-2-(3-nitrophenyl)-
STK825258AKOS0021753182-(3-nitrophenyl)-2,3-dihydroperimidineSMR000186896ST500639432-(m-nitrophenyl)-2,3-dihydro-1H-perimidineAG-690/11480832SR-01000438990
Database identifiers
- CAS
64573-26-8- PubChem CID
- 727031
- ChEMBL
CHEMBL1438364- ChEBI
CHEBI:105450- EC Number
- 152-525-0
- Nikkaji
- J510.184K
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Melting point
- 188 · 188-190 °C
- Boiling point
- 555.7 · 555.7±50.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- pka
- 2.77 · 2.77±0.40(Predicted)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers6 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
SPECS[email protected]
IFLAB-BB[email protected]
Additional notes
DefinitionChEBI: 2-(3-nitrophenyl)-2,3-dihydro-1H-perimidine is a member of naphthalenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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