5-Amino-4-nitroacenaphthene
Basic information
- CAS
4657-95-8- Standard SMILES
Nc1c([N+](=O)[O-])cc2c3c(cccc13)CC2- InChIKey
VWJYDQVCIUABSV-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422757
Names & identifiers
- Preferred name
- 5-Amino-4-nitroacenaphthene
- IUPAC
- 4-nitro-1,2-dihydroacenaphthylen-5-amine
- English name
- 5-Acenaphthylenamine,1,2-dihydro-4-nitro-
- Molecular formula
- C12H10N2O2
- Molecular weight
- 214.22
Names & synonyms
5-Amino-4-nitroacenaphtheneRefChem:532330636-923-64-nitro-1,2-dihydroacenaphthylen-5-amine4657-95-8MLS003171483NSC4002445-Acenaphthenamine, 4-nitro-CHEMBL1986798DTXSID50322027AKOS024332330NSC 400244
Show more names
4-Nitro-acenaphthen-5-ylamine5-Acenaphthylenamine,1,2-dihydro-4-nitro-
NSC-400244SB78885NCI60_003732SMR001875369
Database identifiers
- CAS
4657-95-8- PubChem CID
- 343757
- DTXSID
DTXSID50322027- ChEMBL
CHEMBL1986798- EC Number
- 636-923-6
- Nikkaji
- J36.347B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 212 · 212-213 °C
- Boiling point
- 439.8 · 439.8±45.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- pka
- -1.01 · -1.01±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315
- Precautionary statements
- 264 · 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P271, P280, P302+P352, P304+P340, P319, P321, P332+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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