1,3-Benzenedisulfonyldichloride, 2,4,6-trimethyl-

Product Information

Molecular Formula:
C9H10 Cl2 O4 S2
Molecular Weight:
317.21
Description
2,4,6-trimethyl-1,3-Benzenedisulfonyldichloride is a specialty chemical used from biomedical research, often as an intermediate in the synthesis of novel compounds. The compound can facilitate the construction of drugs related to cardiovascular diseases and various bacterial infections.
Synonyms
2,4-MESITYLENEDISULFONYL DICHLORIDE; 2,4,6-TRIMETHYL-1,3-BENZENEDISULFONYL DICHLORIDE; Mesitylenedisulfonyldichloride; 2,4-MESITYLENEDISULFONYL DICHLORIDE 98+%; 2,4-mesitylenedisulfonyl chloride; 2,4,6-trimethylbenzene-1,3-disulfonyl dichloride; REF DUPL: 2,4-
IUPAC Name
2,4,6-trimethylbenzene-1,3-disulfonyl chloride
Canonical SMILES
CC1=CC(=C(C(=C1S(=O)(=O)Cl)C)S(=O)(=O)Cl)C
InChI
InChI=1S/C9H10Cl2O4S2/c1-5-4-6(2)9(17(11,14)15)7(3)8(5)16(10,12)13/h4H,1-3H3
InChI Key
LNXKRGBQKLXFTB-UHFFFAOYSA-N
Melting Point
125 °C
Purity
>98.0%(T)
Appearance
White to Almost white 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
3.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
315.9397565 g/mol
Monoisotopic Mass
315.9397565 g/mol
Topological Polar Surface Area
85Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
430
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
WO-2020218003-A1 N,n'-diarylurea derivative and thermosensitive recording material using same 2019-04-26
JP-WO2020218003-A1 N, N'-diarylurea derivative and heat-sensitive recording material using it 2019-04-26
JP-2020152667-A N, N'-diarylurea derivative and its production method, and heat-sensitive recording material using it. 2019-03-19
JP-6968434-B2 N, N'-diarylurea derivative and its production method, and heat-sensitive recording material using it. 2019-03-19
CN-108350018-A The manufacturing method of oligonucleotides 2015-11-17
EP-3378869-A1 Method for producing oligonucleotide 2015-11-17
JP-WO2017086397-A1 Method for producing oligonucleotide 2015-11-17
US-2019169223-A1 Oligonucleotide production method 2015-11-17
WO-2017086397-A1 Method for producing oligonucleotide 2015-11-17
JP-6950529-B2 Method for producing oligonucleotide 2015-11-17
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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