Benzenesulfonamide, N-[2-[[[2,6-bis(1-methylethyl)phenyl]imino]methyl]phenyl]-4-nitro-
- Iupac Name:thiohypochlorous acid
- CAS No.: 15880-17-8
- Molecular Weight:68.52
- Modify Date.: 2020-10-27 14:03
1. Names and Identifiers
- 1.1 Name
- Benzenesulfonamide, N-[2-[[[2,6-bis(1-methylethyl)phenyl]imino]methyl]phenyl]-4-nitro-
- 1.2 CAS No.
- 15880-17-8
- 1.3 CID
- 14228601
- 1.4 Molecular Formula
- C19H12ClF3N2O5S2 (isomer)
- 1.5 Inchi
- InChI=1S/ClHS/c1-2/h2H
- 1.6 InChkey
- XDLNRRRJZOJTRW-UHFFFAOYSA-N
- 1.7 Canonical Smiles
- SCl
- 1.8 Isomers Smiles
- SCl
2. Properties
- 3.1 Density
- 1.2±0.1 g/cm3 (Predicted)
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Computational chemical data
- Molecular Weight: 68.52g/mol
- Molecular Formula: C19H12ClF3N2O5S2
- Compound Is Canonicalized: True
- XLogP3-AA: 1.3
- Exact Mass: 67.9487489
- Monoisotopic Mass: 67.9487489
- Complexity: 2
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 1
- Heavy Atom Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcQAAAABEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Realated Product Infomation
-
501344-75-8
Benzenesulfonamide,N-[2-[(E)-[[2,6-bis(1-methylethyl)phenyl]imino]methyl]phenyl]-4-methyl-
-
210882-43-2
Phenol, 2-[[[2,6-bis(1-methylethyl)phenyl]imino]methyl]-4-nitro-
-
501344-73-6
Benzenesulfonamide,4-methyl-N-[2-[(E)-[(1-methylethyl)imino]methyl]phenyl]-
-
330666-08-5
Benzenamine,N-[2,6-bis(1-methylethyl)phenyl]-2-[[[2,6-bis(1-methylethyl)phenyl]imino]methyl]-
-
187605-57-8
Phenol, 2-[[[2,6-bis(1-methylethyl)phenyl]imino]methyl]-
-
52076-83-2
Benzenesulfonamide, 2,5-bis(1-methylethyl)-4-nitro-
-
163704-71-0
Benzenesulfonamide,N-[2,6-bis(1-methylethyl)phenyl]-4-methyl-