2-Mesitylenesulfonyl chloride
Basic information
- CAS
773-64-8- Standard SMILES
Cc1cc(C)c(S(=O)(=O)Cl)c(C)c1- InChIKey
PVJZBZSCGJAWNG-UHFFFAOYSA-N- Molecular formula
- C9H11ClO2S
- Average molar mass
- 218.7 g/mol
- Monoisotopic mass
- 218.0168285
Names & identifiers
- Preferred name
- 2-Mesitylenesulfonyl chloride
- IUPAC
- 2,4,6-trimethylbenzenesulfonyl chloride
- English name
- Mesitylene-2-sulfonyl chloride
- Molecular formula
- C9H11ClO2S
- Molecular weight
- 218.7
Names & synonyms
2-Mesitylenesulfonyl chloride773-64-8Mesitylenesulfonyl chlorideBenzenesulfonyl chloride, 2,4,6-trimethyl-EINECS 212-257-8NSC 403295BRN 11076013-11-00-00346 (Beilstein Handbook Reference)DTXSID90228019RefChem:87788DTXCID601505102-Mesitylenesulfonyl chloride (8CI)
Show more names
enesuLMTS-CLSKL7412-MesityLMesitylenesulphonyl Ch2-MESITYLENSULFONYL CHLORIDE
InChI=1/C9H11ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3HPVJZBZSCGJAWNG-UHFFFAOYSA-N2,4,6-Trimethylbenzenesulfonyl chloride2,4,6-trimethylbenzene-1-sulfonyl chlorideMESITYLSULFONYL CHLORIDEMFCD000074342-Mesitylenesulfonylchloride2,4,6-trimethylphenylsulfonyl chloride
Database identifiers
- CAS
773-64-8- PubChem CID
- 13046
- DTXSID
DTXSID90228019- UNII
- 93TFV87MP5
- EC Number
- 212-257-8
- Nikkaji
- J41.349F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 256
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 55 · 55-57 °C(lit.)
- Boiling point
- 150 °C/20mm · 150°C/20mm
- Density
- 1.4386 · 1.4386 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Soluble in toluene (almost transparency).
- form
- Crystalline Powder
- color
- White to gray
- Water Solubility
- insoluble
- Sensitive
- Moisture Sensitive
- BRN
- 1107601 · 1107601
- InChI
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information2,4,6-Trimethylbenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- DB8930000
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29309070
- risk_code
- 34-29
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 22-26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
Chemistry & industry
Applications
UsesCoupling reagent in polynucleotide synthesis.1
UsesMesitylene-2-sulfonyl chloride is used as reagent for intramolecular lactamizations and lactonization. It also acts as a reagent for protecting guanidino groups and tryptophan. It is used as coupling reagent in polynucleotide synthesis
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
203 records
Compound notes
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