2,4,5,6-TETRAMETHYLBENZENEDISULFONYL DICHLORIDE 98+%

Product Information

Molecular Formula:
C10H12Cl2O4S2
Molecular Weight:
331.23
Description
2,4,5,6-Tetramethylbenzenedisulfonyl Dichloride 98+% is a specialized compound utilized in biomedicine for the synthesis of various pharmaceuticals. It plays a crucial role in chemical reactions to form sulfonyl chlorides group required in specific drug creation protocols.
Synonyms
Isodurenedisulfonyl Dichloride
IUPAC Name
2,4,5,6-tetramethylbenzene-1,3-disulfonyl chloride
Canonical SMILES
CC1=C(C(=C(C(=C1C)S(=O)(=O)Cl)C)S(=O)(=O)Cl)C
InChI
InChI=1S/C10H12Cl2O4S2/c1-5-6(2)9(17(11,13)14)8(4)10(7(5)3)18(12,15)16/h1-4H3
InChI Key
YEYQIYAYJJXKFB-UHFFFAOYSA-N
Melting Point
136 °C
Purity
>98.0%(T)
Appearance
White to Light yellow to Light orange powder to crystal

Safety Information

Hazards
H290:
May be corrosive to metals.
H314:
Causes severe skin burns and eye damage.
Precautionary Statement
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:
IF SWALLOWED:
Rinse mouth.
Do NOT induce vomiting.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.

Computed Properties

XLogP3
3.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
329.9554066 g/mol
Monoisotopic Mass
329.9554066 g/mol
Topological Polar Surface Area
85Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
457
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
AU-2011219862-A1 Dimeric IAP inhibitors 2010-02-25
CA-2790302-A1 Dimeric iap inhibitors 2010-02-25
EP-2539333-A1 Dimeric iap inhibitors 2010-02-25
JP-2013520466-A Dimer IAP inhibitor 2010-02-25
KR-20130010894-A Dimer IAP Inhibitors 2010-02-25
US-2011206690-A1 Dimeric iap inhibitors 2010-02-25
US-8445440-B2 Dimeric IAP inhibitors 2010-02-25
WO-2011104266-A1 Dimeric iap inhibitors 2010-02-25
US-2013045977-A1 TGF-beta SIGNAL TRANSDUCTION INHIBITOR 2010-02-17
US-8772297-B2 TGF-β signal transduction inhibitor 2010-02-17
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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