Cas no 8021-36-1 (3-(Methylsulfonyl)aniline hydrochloride)

3-(Methylsulfonyl)aniline hydrochloride is a sulfonamide derivative with the molecular formula C?H??ClNO?S. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The methylsulfonyl group enhances its reactivity, making it valuable for nucleophilic substitution and coupling reactions. Its hydrochloride salt form improves stability and solubility in polar solvents, facilitating handling and storage. The compound is characterized by high purity and consistent performance, ensuring reproducibility in synthetic applications. Its structural features make it useful in constructing complex molecules, including bioactive compounds and functional materials. Proper handling under controlled conditions is recommended due to its reactivity.

3-(Methylsulfonyl)aniline hydrochloride structure

8021-36-1 structure

Product Name:3-(Methylsulfonyl)aniline hydrochloride

CAS No:8021-36-1

MF:C₇H₁₀ClNO₂S

MW:207.677799701691

CID:48067

Update Time:2025-05-28

3-(Methylsulfonyl)aniline hydrochloride Chemical and Physical Properties

Names and Identifiers

- Opoponax Oil
- Opopanax Gum
- OPOPANAX
- OPOPANAX OIL
- 3-(Methylsulfonyl)aniline hydrochloride
- 3-methylsulfonylaniline Hydrochloride
- 3-(methylsulphonyl)aniline hydrochloride
- 3-methanesulfonylaniline hydrochloride
- 3-methylsulphonylaniline hydrochloride
- [3-(methylsulfonyl)phenyl]amine hydrochloride
- Benzenamine, 3-(methylsulfonyl)-, hydrochloride
- 3-Methanesulfonyl-phenylamine HCl
- 3-methylsulfonylaniline;hydrochloride
- [3-(Methylsulfonyl)phenyl]amine HCl
- NSC227966
- 3-methansulphonylaniline hydrochloride
- Opoponaxgumextract
- Opoponaxhypersoluble
- OPOPONAX
- Commiphora Erythraea
- GUM OPOPANAX
- MDL： MFCD00678435
- Inchi： 1S/C7H9NO2S.ClH/c1-11(9,10)7-4-2-3-6(8)5-7;/h2-5H,8H2,1H3;1H
- InChI Key： ZMPXGSYLKFAGOV-UHFFFAOYSA-N
- SMILES： Cl.S(C)(C1C=CC=C(C=1)N)(=O)=O

Computed Properties

Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 12
Rotatable Bond Count: 1
Complexity: 217
Topological Polar Surface Area: 68.5

Experimental Properties

Density: 0.9?g/mL?at 25?°C(lit.)
Boiling Point: 238?°C/755?mmHg(lit.)
Flash Point: Fahrenheit: 143.6 ° f
Celsius: 62 ° c
Refractive Index: n20/D 1.54(lit.)

3-(Methylsulfonyl)aniline hydrochloride Security Information

WGK Germany：3

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