ChemicalBook--->CAS DataBase List--->393085-45-5

393085-45-5

393085-45-5 Structure

393085-45-5 Structure
IdentificationBack Directory
[Name]

2-AMINO-4-(METHYLSULFONYL)BENZOICACID
[CAS]

393085-45-5
[Synonyms]

Benzoic acid,2-amino-4-(methylsulfonyl)-
2-Amino-4-(methylsulfonyl)benzoic acid, tech
2-Amino-4-(methylsulphonyl)benzoic acid, tech
3-Amino-4-carboxyphenyl methyl sulphone, 2-Carboxy-5-(methylsulphonyl)aniline
[Molecular Formula]

C8H9NO4S
[MDL Number]

MFCD04037927
[MOL File]

393085-45-5.mol
[Molecular Weight]

215.23
Chemical PropertiesBack Directory
[Melting point ]

245°C
[Boiling point ]

493.5±45.0 °C(Predicted)
[density ]

1.473±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

solid
[pka]

4.24±0.10(Predicted)
[color ]

White
[Stability:]

Hygroscopic
[InChI]

1S/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)
[InChIKey]

KFOGGDGNOLZBNY-UHFFFAOYSA-N
[SMILES]

[S](=O)(=O)(C)c1cc(c(cc1)C(=O)O)N
Safety DataBack Directory
[Hazard Codes ]

Xi
[WGK Germany ]

WGK 3
[HS Code ]

2922498590
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

2-Amino-4-(methylsulfonyl)benzoic Acid is a reagent used in the synthesis of anthranilic diamides containing fluorinated groups as potential ryanodine receptors activators.
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMINO-4-(METHYLSULFONYL)BENZOICACID (393085-45-5)1HNMR
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