Basic information
- CAS
75112-66-2- Standard SMILES
O=C1C(Cl)=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21- InChIKey
WQJPTKXOYCBASA-UHFFFAOYSA-N- Molecular formula
- C16H9ClN2O4
- Average molar mass
- 328.7 g/mol
- Monoisotopic mass
- 328.0250845
Overview
See also: 3-Chloro-2-(4-nitroanilino)-1,4-naphthoquinone (annotation moved to).
Names & identifiers
- Preferred name
- 2-Chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione
- IUPAC
- 2-chloro-3-(4-nitroanilino)naphthalene-1,4-dione
- English name
- 2-chloro-3-[(4-nitrophenyl)amino]-1,4-dihydronaphthalene-1,4-dione
- Molecular formula
- C16H9ClN2O4
- Molecular weight
- 328.70666
Names & synonyms
2-chloro-3-(4-nitroanilino)naphthalene-1,4-dione2-chloro-3-[(4-nitrophenyl)amino]naphthalene-1,4-dione75112-66-22-chloro-3-(4-nitroanilino)naphthoquinoneNSC129140CHEMBL2018800DTXSID10299266AKOS027282480NSC-1291402-(4-nitroanilino)-3-chloro-1,4-naphthoquinone3-CHLORO-2-(4-NITROANILINO)-1,4-NAPHTHOQUINONE2-chloro-3-[(4-nitrophenyl)amino]-1,4-dihydronaphthalene-1,4-dione
Database identifiers
- CAS
75112-66-2- PubChem CID
- 279014
- DTXSID
DTXSID10299266- ChEMBL
CHEMBL2018800- Nikkaji
- J2.204.297A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 561
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H400
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H335-H315-H319-H400
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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