Basic information
- CAS
6338-60-9- Standard SMILES
O=C=Nc1cc(S(=O)(=O)c2ccc(Cl)c(N=C=O)c2)ccc1Cl- InChIKey
XADGVNLZVITQBQ-UHFFFAOYSA-N- Molecular formula
- C14H6Cl2N2O4S
- Average molar mass
- 369.2 g/mol
- Monoisotopic mass
- 367.9425332
Names & identifiers
- Preferred name
- 1,1'-Sulfonylbis(4-chloro-3-isocyanatobenzene)
- IUPAC
- 1-chloro-4-(4-chloro-3-isocyanatophenyl)sulfonyl-2-isocyanatobenzene
- English name
- 1-chloro-4-(4-chloro-3-isocyanato-phenyl)sulfonyl-2-isocyanato-benzene
- Molecular formula
- C14H6Cl2N2O4S
- Molecular weight
- 369.18
Names & synonyms
NSC407696338-60-91,1'-sulfonylbis(4-chloro-3-isocyanatobenzene)SCHEMBL739522DTXSID10285164NSC-407691-CHLORO-4-(4-CHLORO-3-ISOCYANATO-PHENYL)SULFONYL-2-ISOCYANATO-BENZENE3,3'-Diisocyanato-4,4'-dichlorodiphenylsulfoneBenzene, 1,1'-sulfonylbis[4-chloro-3-isocyanato-
Database identifiers
- CAS
6338-60-9- PubChem CID
- 237353
- DTXSID
DTXSID10285164- Nikkaji
- J804.066D
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- Boiling point
- 528.6 · 528.6±50.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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