Basic information
- CAS
136859-32-0- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccccc2I)cc1- InChIKey
AANOMPHCDVIEHA-UHFFFAOYSA-N- Molecular formula
- C13H11IO3S
- Average molar mass
- 374.2 g/mol
- Monoisotopic mass
- 373.94736
Names & identifiers
- Preferred name
- 2-Iodophenyl 4-methylbenzene-1-sulfonate
- IUPAC
- (2-iodophenyl) 4-methylbenzenesulfonate
- English name
- 2-Iodophenyl 4-methylphenylsulfonate
- Molecular formula
- C13H11IO3S
- Molecular weight
- 374.19
Names & synonyms
136859-32-02-iodophenyl 4-methylbenzene-1-sulfonateDTXSID40571441RefChem:262272DTXCID60522213(2-iodophenyl) 4-methylbenzenesulfonate2-Iodophenyl 4-methylbenzenesulfonate2-IODOPHENYL 4-METHYLPHENYLSULFONATESCHEMBL2516102MFCD07779037AKOS016016204F70456
Show more names
O-IODOPHENYL P-TOLYLSULFONATE
(2-Iodophenyl) 4-methylbenzenesulfonate_x000D_EN300-6962181Phenol, 2-iodo-, 1-(4-methylbenzenesulfonate)
Database identifiers
- CAS
136859-32-0- PubChem CID
- 15322158
- DTXSID
DTXSID40571441- Nikkaji
- J793.916G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Melting point
- 80 · 80-81 °C
- Boiling point
- 446.7 · 446.7±45.0 °C(Predicted)
- Density
- 1.689 · 1.689±0.06 g/cm3(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
Chemistry & industry
Suppliers2 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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