p-Tolyl methyl sulfone
Basic information
- CAS
3185-99-7- Standard SMILES
Cc1ccc(S(C)(=O)=O)cc1- InChIKey
YYDNBUBMBZRNQQ-UHFFFAOYSA-N- Molecular formula
- C8H10O2S
- Average molar mass
- 170.23 g/mol
- Monoisotopic mass
- 170.04015073
Overview
Methyl p-tolyl sulfone is an organosulfur compound.
Names & identifiers
- Preferred name
- p-Tolyl methyl sulfone
- IUPAC
- 1-methyl-4-methylsulfonylbenzene
- English name
- 1-Methyl-4-(methylsulfonyl)-benzene
- Molecular formula
- C8H10O2S
- Molecular weight
- 170.23
Names & synonyms
3185-99-7Methyl p-tolyl sulfone1-Methyl-4-(methylsulfonyl)benzenep-Tolyl methyl sulfoneBenzene, 1-methyl-4-(methylsulfonyl)-Sulfone, methyl p-tolylp-(Methylsulphonyl)toluenep-(methylsulfonyl)tolueneNSC 2722NSC 29038TG77SM513ANSC-2722
Show more names
1-METHANESULFONYL-4-METHYL-BENZENE4-misyl toluene4-Tolylmethylsulfone1-Methyl-4-(methylsuMethyl 4-tolyl sulfoneMethyl P-Tosyl SulfoneMETHYL P-TOLYL SULPHONE
EINECS 221-682-8NSC-29038DTXSID60752294-METHYLPHENYL METHYL SULFONEpTolyl methyl sulfoneSulfone, methyl ptolyl4(Methylsulfonyl)toluenep(Methylsulphonyl)toluene
Database identifiers
- CAS
3185-99-7- PubChem CID
- 18521
- DTXSID
DTXSID6075229- ChEMBL
CHEMBL1088935- ChEBI
CHEBI:234046- UNII
- TG77SM513A
- EC Number
- 221-682-8
- Nikkaji
- J76.383G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesDiamagnetic susceptibility
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 85 · 85-89 °C(lit.)
- Boiling point
- 140 °C · 140 °C / 3mmHg
- Density
- 1.2238 · 1.2238 (rough estimate)
- refractive index
- 1.532 · 1.5320 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 607296 · 607296
- InChI
- InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3
- InChIKey
- YYDNBUBMBZRNQQ-UHFFFAOYSA-N
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
This chemical does not meet GHS hazard criteria for 11.4% (5 of 44) of reports.
Danger
H302 (88.6%): 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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant that may cause serious eye injury; Harmful by ingestion; [Sigma-Aldrich MSDS] See Diphenyl sulfone. See Dipropyl sulfone.
Hazard Classes and CategoriesAcute Tox. 4 (88.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- hs_code
- 2930909099
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,F
- safety_code
- 26-36-24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
22 records
Compound notes
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