1-Chloromethanesulfonyl-4-methylbenzene

HCID 562845

Notes Reactions

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Basic information

CAS: 7569-26-8
Standard SMILES: Cc1ccc(S(=O)(=O)CCl)cc1
InChIKey: ZQPJNJKCPJDTIQ-UHFFFAOYSA-N
Molecular formula: C8H9ClO2S
Average molar mass: 204.67 g/mol
Monoisotopic mass: 204.0011784

Names & identifiers

Preferred name: 1-Chloromethanesulfonyl-4-methylbenzene
IUPAC: 1-(chloromethylsulfonyl)-4-methylbenzene
English name: P-TOLUENESULFONYLMETHYL CHLORIDE
Molecular formula: C8H9ClO2S
Molecular weight: 204.68

Names & synonyms

1-chloromethanesulfonyl-4-methylbenzeneRefChem:431496620-869-57569-26-81-((Chloromethyl)sulfonyl)-4-methylbenzenep-Toluenesulfonylmethyl ChlorideChloromethyl p-tolyl sulfone1-(chloromethylsulfonyl)-4-methylbenzeneTosylmethyl chlorideBenzene, 1-[(chloromethyl)sulfonyl]-4-methyl-MFCD00134281Enamine_005329

Show more names

TIMTEC-BB SBB000439Chloromethyl 4-tolylsulfone(p-Tolyl)(chloromethyl) sulfoneCHLOROMETHYL P-TOLYL SULFONE 99%Chloromethyl(4-methylphenyl) sulfone4-Methylphenyl(chloromethyl) sulfone

p-Tolyl chloromethyl sulfonep-Tolylsulfonylmethyl ChlorideSCHEMBL1149248DTXSID70340243chloro[(4-methylphenyl)sulfonyl]methane1-Chloromethanesulfonyl-4-methyl-benzene1-chloromethane-sulfonyl-4-methyl-benzene1-[(chloromethyl)sulfonyl]-4-methylbenzene

Database identifiers

CAS: 7569-26-8
PubChem CID: 562845
DTXSID: DTXSID70340243
EC Number: 620-869-5
Nikkaji: J129.165C

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 222

Physicochemical properties

Melting point: 83 °C · 83 °C
Boiling point: 346 · 346.0±42.0 °C(Predicted)
Density: 1.288 · 1.288±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: 3 · sol THF, CHCl3, CH2Cl2, and most organic solvents
form: powder to crystal
color: White to Almost white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364
Hazard Codes: Xi
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
HS Code: 2904.1 · 2904.10.1000

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesEye Dam. 1 (97.5%)

Safety data

hs_code: 2904.10.1000
risk_code: 41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

Chemistry & industry

Applications

UsesP-TOLUENESULFONYLMETHYL CHLORIDE is used for synthesis of α,β-epoxy sulfones and alkylated sulfones; reacts with electrophilic arenes and heterocyclic arenes; source of α-p-tolylsulfonyl radicals.