2-Amino-5-bromobenzenesulfonamide

HCID 820700CAS 54734-84-8

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Grundinformationen

Standard-SMILES: Nc1ccc(Br)cc1S(N)(=O)=O
InChIKey: BGILQOXCWMHWOM-UHFFFAOYSA-N
Summenformel: C6H7BrN2O2S
Durchschnittliche Molmasse: 251,1 g/mol
Monoisotopische Masse: 249,94116

Namen und Bezeichner

Bevorzugter Name: 2-Amino-5-bromobenzenesulfonamide
IUPAC: 2-amino-5-bromobenzenesulfonamide
Englischer Name: 2-Amino-5-bromobenzenesulfonamide
Summenformel: C6H7BrN2O2S
Molmasse: 251.1

Namen und Synonyme

2-amino-5-bromobenzenesulfonamide54734-84-8DTXSID00356231RefChem:255673DTXCID70307290637-228-02-Amino-5-bromobenzenesulphonamideMFCD034268352-amino-5-bromobenzene-1-sulfonamideAKOS010212633AT23123PS-4109

Weitere Namen anzeigen

4-Bromo-2-sulphamoylanilineBenzenesulfonamide, 2-amino-5-bromo-4-Bromo-2-sulphamoylaniline, 2-(Aminosulphonyl)-4-bromoaniline

2-Amino-5-bromobenzenesulfonamide, 97%EN300-272696SCHEMBL1522775SBB100892SY491281F843490

Datenbank-Bezeichner

CAS: 54734-84-8
PubChem CID: 820700
DTXSID: DTXSID00356231
EC Number: 637-228-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 94,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 249

Physikochemische Eigenschaften

Schmelzpunkt: 170 · 170-176°C
Siedepunkt: 424.4 · 424.4±55.0 °C(Predicted)
Dichte: 1.834 · 1.834±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 10.02 · 10.02±0.60(Predicted)
Aggregatzustand: solid
InChI: 1S/C6H7BrN2O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKey: BGILQOXCWMHWOM-UHFFFAOYSA-N
SMILES: Nc1ccc(Br)cc1S(N)(=O)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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.