2-Chloro-5-methylbenzene-1-sulfonyl chloride
CAS No.:
99876-69-4
M. Wt:
225.09200
M. Fa:
C7H6Cl2O2S
InChI Key:
IJUVBGAZPUZWJR-UHFFFAOYSA-N
Appearance:
Yellow Solid
Names and Identifiers of 99876-69-4
CAS Number |
99876-69-4 |
|---|---|
EC Number |
836-316-8 |
MDL Number |
MFCD12922948 |
IUPAC Name |
2-chloro-5-methylbenzenesulfonyl chloride |
InChI |
InChI=1S/C7H6Cl2O2S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,1H3 |
InChIKey |
IJUVBGAZPUZWJR-UHFFFAOYSA-N |
Canonical SMILES |
CC1=CC(=C(C=C1)Cl)S(=O)(=O)Cl |
UNSPSC Code |
12352100 |
Physical and chemical properties of 99876-69-4
Exact Mass |
223.94700 |
|---|---|
H Bond Acceptors |
2 |
H Bond Donors |
0 |
LogP |
3.65670 |
Molecular Formula |
C7H6Cl2O2S |
Molecular Weight |
225.09200 |
PSA |
42.52000 |
Safety Information of 99876-69-4
Applications of 99876-69-4
2-Chloro-5-methylbenzene-1-sulfonyl chloride is utilized in various fields:
- Organic Synthesis: It serves as an important intermediate for synthesizing pharmaceuticals, agrochemicals, and fine chemicals.
- Chemical Research: The compound is used in laboratories for developing new synthetic methodologies and exploring reaction mechanisms.
- Bioconjugation: It can be employed to modify biomolecules, facilitating studies in biochemistry and molecular biology.
Interaction Studies of 99876-69-4
Interaction studies involving 2-chloro-5-methylbenzene-1-sulfonyl chloride focus on its reactivity with nucleophiles. These studies help elucidate its role as a reactive intermediate in organic synthesis and its potential interactions with biological molecules. Understanding these interactions is crucial for predicting its behavior in biological systems and optimizing its use in drug development.
Physical sample testing spectrum (NMR) of 99876-69-4
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