Basic information
- CAS
60270-05-5- Standard SMILES
Cc1ccc(OS(=O)c2ccccc2)cc1- InChIKey
YGXMNNJWDHRTFO-UHFFFAOYSA-N- Molecular formula
- C13H12O2S
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.05580079
Names & identifiers
- Preferred name
- P-Tolyl benzenesulfinate
- IUPAC
- (4-methylphenyl) benzenesulfinate
- English name
- p-Tolyl benzenesulfinate
- Molecular formula
- C13H12O2S
- Molecular weight
- 232.3
Names & synonyms
P-TOLYL BENZENESULFINATERefChem:858229660-254-960270-05-54-METHYLPHENYL BENZENESULFINATEBenzenesulfinic acid, 4-methylphenyl esterDTXSID60395085AKOS024324839
Database identifiers
- CAS
60270-05-5- PubChem CID
- 3689967
- DTXSID
DTXSID60395085- EC Number
- 660-254-9
- Nikkaji
- J698.313H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 68 °C · 68 °C
- Boiling point
- 378.9 · 378.9±35.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315-H302
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315-H302
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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