Basic information
- CAS
6307-22-8- Standard SMILES
O=C1C(Cl)=C(NCCc2ccccc2)C(=O)c2ccccc21- InChIKey
PNCKVMGGVODNEF-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.0713064
Names & identifiers
- Preferred name
- Mls002608293
- IUPAC
- 2-chloro-3-(2-phenylethylamino)naphthalene-1,4-dione
- English name
- 2-chloro-3-(phenethylamino)naphthalene-1,4-dione
- Molecular formula
- C18H14ClNO2
- Molecular weight
- 311.76
Names & synonyms
6307-22-8MLS002608293DTXSID30285222RefChem:357142DTXCID102363732-chloro-3-(phenethylamino)naphthalene-1,4-dione2-chloro-3-(2-phenylethylamino)naphthalene-1,4-dione2-chloro-3-[(2-phenylethyl)amino]naphthalene-1,4-dioneSR-01000308352NSC410982-chloro-3-(phenethylamino)naphthoquinoneSCHEMBL8285428
Show more names
2-CHLORO-3-(PHENETHYLAMINO)-1,4-NAPHTHOQUINONE1,4-Naphthalenedione, 2-chloro-3-[(2-phenylethyl)amino]-
CHEMBL1723955BDBM635602HMS3078L08MFCD00029195NSC-41098STK787692AKOS002391127MS-1664
Database identifiers
- CAS
6307-22-8- PubChem CID
- 237490
- DTXSID
DTXSID30285222- ChEMBL
CHEMBL1723955- EC Number
- 665-992-5
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · 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.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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