Basic information
- CAS
6628-97-3- Standard SMILES
O=C1C=C(Nc2ccccc2)C(=O)c2ccccc21- InChIKey
OPECBHGHSFBITB-UHFFFAOYSA-N- Molecular formula
- C16H11NO2
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.07897859
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Phenylamino-1,4-naphthoquinone
- IUPAC
- 2-anilinonaphthalene-1,4-dione
- English name
- 2-Anilino-1,4-naphthoquinone
- Molecular formula
- C16H11NO2
- Molecular weight
- 249.26
Names & synonyms
2-phenylamino-1,4-naphthoquinoneRefChem:4652352-Anilino-1,4-naphthoquinone6628-97-32-(phenylamino)naphthalene-1,4-dione2-anilinonaphthalene-1,4-dioneMLS001048869SMR000387072CCRIS 6674NSC597892-Anilinonaphthoquinone #cid_81124
Show more names
1,4-Naphthalenedione, 2-(phenylamino)-
MLS004556032CHEMBL84010SCHEMBL754259SCHEMBL29633257BDBM49934DTXSID60216488OPECBHGHSFBITB-UHFFFAOYSA-NHMS1613N03
Database identifiers
- CAS
6628-97-3- PubChem CID
- 81124
- DTXSID
DTXSID60216488- ChEMBL
CHEMBL84010- EC Number
- 633-160-0
- Nikkaji
- J1.797.724E、J604.877C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
LogP2.84
Physicochemical properties
- Melting point
- 193 °C · 193°C
- Boiling point
- 392.37 °C · 392.37°C (rough estimate)
- Density
- 1.1426 · 1.1426 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H302-H315-H319-H312-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H302-H315-H319-H312-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
杭州品高化工有限公司0571-87658025 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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