4-Methylbenzene-1-sulfinyl chloride
Basic information
- CAS
10439-23-3- Standard SMILES
Cc1ccc(S(=O)Cl)cc1- InChIKey
DYYLCPSSSFWEEA-UHFFFAOYSA-N- Molecular formula
- C7H7ClOS
- Average molar mass
- 174.65 g/mol
- Monoisotopic mass
- 173.9906137
Names & identifiers
- Preferred name
- 4-Methylbenzene-1-sulfinyl chloride
- IUPAC
- 4-methylbenzenesulfinyl chloride
- English name
- p-Toluenesulfinyl chloride
- Molecular formula
- C7H7ClOS
- Molecular weight
- 174.65
Names & synonyms
4-methylbenzene-1-sulfinyl chlorideRefChem:525534847-042-34-methylbenzenesulfinyl chloride10439-23-3P-TOLUENESULFINYL CHLORIDEBenzenesulfinyl chloride, 4-methyl-MFCD016308224-Methylbenzene-1-sulfinic Chloride4-methylbenzenesulfinylchlorideSCHEMBL18985224-methyl-benzenesulfinyl chloride
Show more names
p-Toluenesulphinyl chloride2-methylbenzenesulfinyl chloride
DTXSID40400565DYYLCPSSSFWEEA-UHFFFAOYSA-NAKOS006276472SY310207DB-009806CS-0308352C14066EN300-116775
Database identifiers
- CAS
10439-23-3- PubChem CID
- 4190004
- DTXSID
DTXSID40400565- EC Number
- 847-042-3
- Nikkaji
- J329.907D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 57 °C · 57°C
- Boiling point
- 113 · 113-115 °C(Press: 3.5 Torr)
- Density
- 1.2645 · 1.2645 (estimate)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H314-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H314-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Applications
Uses4-Methylbenzenesulfinyl Chloride is an intermediate in the synthesis aromatic sulphinic acids.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
Loading…