Basic information
- CAS
20114-14-1- Standard SMILES
O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1- InChIKey
JJOKSIVIQACHPZ-UHFFFAOYSA-N- Molecular formula
- C12H7ClN2O4S
- Average molar mass
- 310.71 g/mol
- Monoisotopic mass
- 309.9815056
Names & identifiers
- Preferred name
- 4-Chlorophenyl 2,4-dinitrophenyl sulfide
- IUPAC
- 1-(4-chlorophenyl)sulfanyl-2,4-dinitrobenzene
Names & synonyms
4-Chlorophenyl 2,4-dinitrophenyl sulfideRefChem:522014660-307-620114-14-1ST50555254SCHEMBL275612511-[(4-CHLOROPHENYL)SULFANYL]-2,4-DINITROBENZENEDTXSID00332595AKOS008568079p-Chlorophenyl 2,4-dinitrophenylsulfide1-(4-chlorophenylthio)-2,4-dinitrobenzene1-(4-chlorophenyl)sulfanyl-2,4-dinitro-benzene
Database identifiers
- CAS
20114-14-1- PubChem CID
- 459028
- DTXSID
DTXSID00332595- EC Number
- 660-307-6
- Nikkaji
- J1.762.008H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…