CAS 56354-57-5 4-Cyclohexylbenzene-1-sulfonyl chloride (HCID 4339442)

Substructure search Find similar structures

Basic information

CAS: 56354-57-5
Standard SMILES: O=S(=O)(Cl)c1ccc(C2CCCCC2)cc1
InChIKey: CREMYEDHKUWVTB-UHFFFAOYSA-N
Molecular formula: C12H15ClO2S
Average molar mass: 258.76 g/mol
Monoisotopic mass: 258.0481284

Names & identifiers

Preferred name: 4-Cyclohexylbenzene-1-sulfonyl chloride
IUPAC: 4-cyclohexylbenzenesulfonyl chloride
English name: 4-Cyclohexyl-benzenesulfonyl chloride
Molecular formula: C12H15ClO2S
Molecular weight: 258.76

Names & synonyms

4-Cyclohexylbenzene-1-sulfonyl chlorideRefChem:522334842-748-856354-57-54-cyclohexylbenzenesulfonyl chloride4-cyclohexyl-benzenesulfonyl chlorideC12H15ClO2SMFCD006257134-Cyclohexylbenzene-1-sulfonylchlorideSCHEMBL1931626DTXSID404020844-Cyclohexylphenylsulfonyl chloride

Show more names

4-Cyclohexylbenzenesulphonyl chloride[4-(Chlorosulphonyl)phenyl]cyclohexane4-Cyclohexylbenzenesulfonylchloride,97%Benzenesulfonyl chloride, 4-cyclohexyl-4-cyclohexylbenzenesulfonyl chloride(SALTDATA: FREE)

chloro(4-cyclohexylphenyl)sulfoneCREMYEDHKUWVTB-UHFFFAOYSA-NALBB-001000BBL001426SBB046737STK409593AKOS000200560AS-9620

Database identifiers

CAS: 56354-57-5
PubChem CID: 4339442
DTXSID: DTXSID40402084
EC Number: 842-748-8

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 306

Physicochemical properties

Melting point: 52 · 52-54℃
Boiling point: 358.5 · 358.5±21.0 °C(Predicted)
Density: 1.248 · 1.248±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: Crystalline Powder
color: White
Sensitive: Moisture Sensitive
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C
RIDADR: 3261 · UN3261
HazardClass: IRRITANT
HS Code: 2904990090 · 2904990090
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (50%)

Safety data

ridadr: UN3261
hs_code: 2904990090
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_class: 8
Hazard statements: H314-H318
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 1 item

Uses4-Cyclohexyl-benzenesulfonyl Chloride is a useful synthetic intermediate. It can be used as a reagent to synthesize secondary amides of sulfonylated 3-amidinophenylalanine which are potent and selective inhibitors of matriptase. It is also an intermediate to synthesize 4-Cyclohexyl-benzenethiol (C989250).