Basic information
- CAS
14723-61-6- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1Sc1ccccc1- InChIKey
PWDBUOFAVPIYFL-UHFFFAOYSA-N- Molecular formula
- C16H10N2O4S
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.03612798
Names & identifiers
- Preferred name
- 1,3-Dinitro-4-(phenylthio)naphthalene
- IUPAC
- 2,4-dinitro-1-phenylsulfanylnaphthalene
- English name
- 1,3-Dinitro-4-(phenylthio)naphthalene
- Molecular formula
- C16H10N2O4S
- Molecular weight
- 326.33
Names & synonyms
1,3-DINITRO-4-(PHENYLTHIO)NAPHTHALENERefChem:414715668-004-014723-61-62,4-dinitro-1-phenylsulfanylnaphthaleneNSC525262DTXSID90326201AKOS024337707NSC-525262DS-0119852,4-DINITRO-1-(PHENYLSULFANYL)NAPHTHALENENAPHTHALENE,2,4-DINITRO-1-(PHENYLTHIO)-
Show more names
Naphthalene, 2,4-dinitro-1-(phenylthio)-
Database identifiers
- CAS
14723-61-6- PubChem CID
- 352176
- DTXSID
DTXSID90326201- EC Number
- 668-004-0
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Melting point
- 117 · 117-118 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 499.3 · 499.3±40.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 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
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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