5-(Aminosulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid

Base Information

• Chemical Name: 5-(Aminosulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid
• CAS No.: 306936-62-9
• Molecular Formula: C6H8 N2 O4 S
• Molecular Weight: 204.2
• Hs Code.: 2935009090
• European Community (EC) Number: 640-857-3
• DSSTox Substance ID: DTXSID50372466
• Wikidata: Q82160190
• Mol file: 306936-62-9.mol

Synonyms:306936-62-9;5-(AMINOSULFONYL)-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID;1-methyl-5-sulfamoyl-1H-pyrrole-2-carboxylic acid;1-methyl-5-sulfamoylpyrrole-2-carboxylic acid;1H-Pyrrole-2-carboxylic acid, 5-(aminosulfonyl)-1-methyl-;SDCCGMLS-0066249.P001;Oprea1_051268;SCHEMBL329981;DTXSID50372466;HIUOQXPHVZAOBG-UHFFFAOYSA-N;MFCD02677728;MS-22129;CS-0363888;FT-0619685;5-(Aminosulfonyl)-1-methyl-1H-pyrrole-2-carboxylicacid;5-(Aminosulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid, AldrichCPR

Chemical Property of 5-(Aminosulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 5.7E-11mmHg at 25°C
• Melting Point: 210 °C
• Boiling Point: 503.8°C at 760 mmHg
• Flash Point: 258.5°C
• PSA: 110.77000
• Density: 1.67g/cm³
• LogP: 1.15180
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 204.02047791
• Heavy Atom Count: 13
• Complexity: 307

Purity/Quality:

98%Min ^*data from raw suppliers

5-(Aminosulphonyl)-1-methyl-1H-pyrrole-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC=C1S(=O)(=O)N)C(=O)O