Benzolsulfonamid
Benzenesulfonamide
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Grundinformationen
- CAS
98-10-2- Standard-SMILES
NS(=O)(=O)c1ccccc1- InChIKey
KHBQMWCZKVMBLN-UHFFFAOYSA-N- Summenformel
- C6H7NO2S
- Durchschnittliche Molmasse
- 157,19 g/mol
- Monoisotopische Masse
- 157,01974964
Überblick
Benzenesulfonamide is a sulfonamide.
Namen und Bezeichner
- Bevorzugter Name
- Benzenesulfonamide
- IUPAC
- benzenesulfonamide
- Lokaler Name
- Benzolsulfonamid
- Englischer Name
- Benzenesulfonamide
- Summenformel
- C6H7NO2S
- Molmasse
- 157.19
Namen und Synonyme
BENZENESULFONAMIDE98-10-2BenzenesulphonamideBenzosulfonamideBenzolsulfonamideM and B 7973DTXSID1059159RefChem:117717DTXCID8049042202-637-1phenylsulfonamideBenzenesulfonyl amine
Weitere Namen anzeigen
BSACL160mandb7973benzsulfamideBenzenesulfomideBenzosuifqnamide
benzolsulfonamidbenzenesulonamidebenzensulfonamideBenzenesulfonamdeMFCD00007930CHEMBL27601benzene sulfonamidephenyl sulfonamide
Datenbank-Bezeichner
- CAS
98-10-2- PubChem CID
- 7370
- DTXSID
DTXSID1059159- ChEMBL
CHEMBL27601- ChEBI
CHEBI:191017- EC Number
- 202-637-1
- Nikkaji
- J54.498A
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 68,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 186
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Sulfonamides
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP0.33
Vapor Pressure0.000894 [mmHg]
Physical DescriptionWhite to cream odorless crystalline powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 149 · 149-152 °C (lit.)
- Siedepunkt
- 315.5 · 315.5±25.0 °C(Predicted)
- Dichte
- 1.274 · 1.274 (estimate)
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- Flammpunkt
- 250 °C · 250°C
- storage temp.
- 30 °C · Store below +30°C.
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 167 reports by companies from 4 notifications to the ECHA C&L Inventory.
Danger
H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Gefahrenhinweise
Regulatory Information
Chemical: Benzenesulfonamide
REACH registered substance: Benzenesulphonamide (EC: 202-637-1)
Benzenesulphonamide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes liver function test abnormalities, changes in leukocyte and erythrocyte counts, and weight loss in repeated-dose oral studies of rats; [RTECS] May cause irritation; Harmful by ingestion; [Alfa Aesar MSDS] See N-Butylbenzenesulfonamide. See Sulfanilamide.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Specific target organ toxicity - Repeated exposure - Category 1 (urinary bladder), Category 2 (liver, kidney, lung)
Toxikologische Informationen
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as an intermediate; [ExPub: ECHA REACH Registrations]
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationBenzenesulfonamide: ACTIVE
Anwendungen
VerwendenBiospecific adsorption of carbonic anhydrase to self-assembled monolayers of alkanethiolates that present benzenesulfonamide groups on gold. Biospecific binding of carbonic anhydrase to mixed sams presenting benzenesulfonamide ligands led to a model system for studying lateral steric effects. Benzenesulfonamide modifications at c-7 of ciprofloxacin change its primary target instreptococcus pneumoniae from topoisomerase iv to gyrase. Polar substitutions in the benzenesulfonamide ring of celecoxib afford a potent 1,5-diarylpyrazole class of COX-2 inhibitors.
Darstellung
synthetischeBenzenesulfonamide is obtained by amination of benzenesulfonyl chloride.
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