2-Tosylaniline
Basic information
- CAS
1213-33-8- Standard SMILES
Cc1ccc(S(=O)(=O)c2ccccc2N)cc1- InChIKey
XOPAGLKXJILVRD-UHFFFAOYSA-N- Molecular formula
- C13H13NO2S
- Average molar mass
- 247.31 g/mol
- Monoisotopic mass
- 247.06669983
Names & identifiers
- Preferred name
- 2-Tosylaniline
- IUPAC
- 2-(4-methylphenyl)sulfonylaniline
- English name
- Benzenamine,2-[(4-methylphenyl)sulfonyl]-
- Molecular formula
- C13H13NO2S
- Molecular weight
- 247.31
Names & synonyms
2-Tosylaniline1213-33-82-(4-methylphenyl)sulfonylanilineBenzenamine,2-[(4-methylphenyl)sulfonyl]-MFCD001591132-[(4-methylphenyl)sulfonyl]aniline2-(p-tolylsulfonyl)anilineo-tosylanilineNSC2693SCHEMBL2004711DTXSID20277510NSC-2693
Show more names
2-(p-Toluenesulfonyl)aniline2-[(4-Methylphenyl)sulfonyl]benzenamine
AC32102-(4-Methylbenzene-1-sulfonyl)aniline2-(4-METHYLPHENYLSULFONYL)ANILINESY039570DS-009859CS-0457007F776918
Database identifiers
- CAS
1213-33-8- PubChem CID
- 220233
- DTXSID
DTXSID20277510- Nikkaji
- J1.341.401G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 120 · 120-121 °C
- Boiling point
- 445 · 445.0±38.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- pka
- 1.01 · 1.01±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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