2-Tosylaminobenzaldehyde
Basic information
- CAS
6590-65-4- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2ccccc2C=O)cc1- InChIKey
QLQGABDYGHEFOM-UHFFFAOYSA-N- Molecular formula
- C14H13NO3S
- Average molar mass
- 275.32 g/mol
- Monoisotopic mass
- 275.06161445
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Tosylaminobenzaldehyde
- IUPAC
- N-(2-formylphenyl)-4-methylbenzenesulfonamide
- English name
- N-(2-Formylphenyl)-4-methyl-benzenesulf&
- Molecular formula
- C14H13NO3S
- Molecular weight
- 275.32
Names & synonyms
2-tosylaminobenzaldehydeRefChem:910277N-(2-formylphenyl)-4-methylbenzenesulfonamide6590-65-4N-(2-Formyl-phenyl)-4-methyl-benzenesulfonamideMFCD00805186N-(2-formylphenyl)-4-methylbenzene-1-sulfonamideNSC120186Benzenesulfonamide, N-(2-formylphenyl)-4-methyl-NSC 120186NSC-120186N-(2-FORMYLPHENYL)-4-METHYL-BENZENESULF&
Show more names
N-(2-Formylphenyl)-p-toluenesulfonamideNCIStruc1_001960NCIStruc2_000731ghl.PD_Mitscher_leg0.1275CHEMBL1448552SCHEMBL15820897DTXSID90298010QLQGABDYGHEFOM-UHFFFAOYSA-N
Database identifiers
- CAS
6590-65-4- PubChem CID
- 274241
- DTXSID
DTXSID90298010- ChEMBL
CHEMBL1448552- Nikkaji
- J1.346.431F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Melting point
- 203 · 203-205 °C
- Boiling point
- 445.1 · 445.1±55.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- pka
- 7.94 · 7.94±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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