Benzolsulfonamid

Benzenesulfonamide

HCID 7370CAS 98-10-2
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Grundinformationen

Standard-SMILES
NS(=O)(=O)c1ccccc1
InChIKey
KHBQMWCZKVMBLN-UHFFFAOYSA-N
Summenformel
C6H7NO2S
Durchschnittliche Molmasse
157,19 g/mol
Monoisotopische Masse
157,01974946

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:117717DTXCID8049042202-637-1phenylsulfonamideMFCD00007930
Weitere Namen anzeigen
BSACL160mandb7973benzsulfamideBenzenesulfomideBenzosuifqnamide
CHEMBL27601benzene sulfonamidephenyl sulfonamideBenzenesulfonyl amineNSC 5341EINECS 202-637-1BRN 1100566benzolsulfonamid

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 Struktureigenschaften

XLogP
0,3
Polarare Oberfläche (TPSA)
68,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Sulfonamides
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
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

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 3 Einträge

Chemical: Benzenesulfonamide

Status: Active Update: 08-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32759

Benzenesulphonamide: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

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 · 2 Einträge

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.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29350090
RTECS-Nr.
DA9380000
risk_code
22
Toxizität
LD50 orally in Rabbit: 991 mg/kg

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 · 1 Eintrag

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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

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