3-(Methylsulfamoyl)benzoic acid

HCID 252654

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Grundinformationen

CAS: 35623-11-1
Standard-SMILES: CNS(=O)(=O)c1cccc(C(=O)O)c1
InChIKey: UTZKLODUDPSLBT-UHFFFAOYSA-N
Summenformel: C8H9NO4S
Durchschnittliche Molmasse: 215,23 g/mol
Monoisotopische Masse: 215,02522894

Namen und Bezeichner

Bevorzugter Name: 3-(Methylsulfamoyl)benzoic acid
IUPAC: 3-(methylsulfamoyl)benzoic acid
Englischer Name: 3-[(Methylamino)sulphonyl]benzoic acid
Summenformel: C8H9NO4S
Molmasse: 215.23

Namen und Synonyme

3-(methylsulfamoyl)benzoic acidRefChem:495538630-009-035623-11-13-[(Methylamino)sulphonyl]benzoic acid3-methylsulfamoyl-benzoic acid3-(N-Methylsulfamoyl)benzoic acidMFCD027078763-[(Methylamino)sulfonyl]benzenecarboxylic acidBenzoic acid, 3-[(methylamino)sulfonyl]-3-[(methylamino)sulfonyl]benzoic acidNSC74787

Weitere Namen anzeigen

NSC 747873-(Methylsulphamoyl)benzoic acidBenzoic acid,3-[(MethylaMino)sulfonyl]-3-[(Methylamino)sulphonyl]benzoic acid, 3-Carboxy-N-methylbenzenesulphonamide

3-[(Methylamino)sulphonyl]benzoicAcidOprea1_641871SCHEMBL35539SCHEMBL30147625DTXSID70291307UTZKLODUDPSLBT-UHFFFAOYSA-NHMS1755L18KBA62311

Datenbank-Bezeichner

CAS: 35623-11-1
PubChem CID: 252654
DTXSID: DTXSID70291307
EC Number: 630-009-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 91,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 306

Physikochemische Eigenschaften

Schmelzpunkt: 211 · 211-213°C
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
Farbe: beige

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.