2-Chloro-3-(4-phenoxyanilino)naphthoquinone
Basic information
- CAS
487025-33-2- Standard SMILES
O=C1C(Cl)=C(Nc2ccc(Oc3ccccc3)cc2)C(=O)c2ccccc21- InChIKey
MCAILCSAALHVMI-UHFFFAOYSA-N- Molecular formula
- C22H14ClNO3
- Average molar mass
- 375.8 g/mol
- Monoisotopic mass
- 375.066221
Names & identifiers
- Preferred name
- 2-Chloro-3-(4-phenoxyanilino)naphthoquinone
- IUPAC
- 2-chloro-3-(4-phenoxyanilino)naphthalene-1,4-dione
- English name
- SALOR-INT L446998-1EA
- Molecular formula
- C22H14ClNO3
- Molecular weight
- 375.8
Names & synonyms
2-CHLORO-3-(4-PHENOXYANILINO)NAPHTHOQUINONE487025-33-2RefChem:468629645-093-4CHEMBL2018802ZINC02507264AKOS024416375SALOR-INT L446998-1EA
Database identifiers
- CAS
487025-33-2- PubChem CID
- 3374103
- ChEMBL
CHEMBL2018802- EC Number
- 645-093-4
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 603
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H410
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-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
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, P391, 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,GHS09
- Hazard statements
- H319-H315-H335-H410
- Precautionary statements
- P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…