2-Mesitylenesulfonyl chloride (HCID 13046)

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 1107601DTXSID902280193-11-00-00346 (Beilstein Handbook Reference)RefChem: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-MesitylenesulfonylchlorideMesitylene-2-sulphonyl 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 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 256

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: 1S/C9H11ClO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3
InChIKey: PVJZBZSCGJAWNG-UHFFFAOYSA-N
SMILES: Cc1cc(C)c(c(C)c1)S(Cl)(=O)=O
LogP: 2.738 · 2.738 (est)
CAS DataBase Reference: 773 · 773-64-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 93 TFV87MP5 · 93TFV87MP5
NIST Chemistry Reference: 2 · 2-Mesitylenesulfonyl chloride(773-64-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34-29
Safety Statements: 22 · 22-26-27-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
RTECS: 8930000 · DB8930000
F: 10 · 10-21
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29049020 · 29049020
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

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
packing_group: II
Hazard statements: H314
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

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