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Sigma-Aldrich

3,5-Dimethylbenzenesulfonyl chloride

97%

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About This Item

Linear Formula:
(CH3)2C6H3SO2Cl
CAS Number:
2905-27-3
Molecular Weight:
204.67
MDL number:
MFCD03094655
UNSPSC Code:
12352100
PubChem Substance ID:
24879255
NACRES:
NA.22

Assay

97%

mp

90-94 °C (lit.)

SMILES string

Cc1cc(C)cc(c1)S(Cl)(=O)=O

InChI

1S/C8H9ClO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3

InChI key

LSAGRAXLOLZVKO-UHFFFAOYSA-N

Application

3,5-Dimethylbenzenesulfonyl chloride (dmbSO2Cl) may be used to synthesize hexa-2,4-diyne-1,6-diyl bis(3,5-dimethylbenzenesulfonate) and C2-symmetric ligands, N(SO2R)(CH2Z)2 [where, Z = CH2NH2; R = dmb].

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCBR8304V
BCBH1378V
1434545V
1434545
1434546

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Structure of hexa-2, 4-diyne-1, 6-diyl bis (3, 5-dimethylbenzenesulfonate).
Barrow MJ, et al.
Acta Crystallographica Section C, Structural Chemistry, 45(11), 1821-1822 (1989)
Pramuditha L Abhayawardhana et al.
Inorganic chemistry, 53(2), 1144-1155 (2014-01-10)
Tertiary sulfonamide nitrogen-to-metal bonds of normal length are very rare. We recently discovered such a bond in one class of fac-[Re(CO)3(N(SO2R)(CH2Z)2)](n) complexes (Z = 2-pyridyl) with N(SO2R)dpa ligands derived from di-(2-picolyl)amine (N(H)dpa). fac-[M(CO)3(N(SO2R)(CH2Z)2)](n) agents (M = (186/188)Re, (99m)Tc) could find

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