4-Chlor-5-sulfamoylbenzoesure

4-Chloro-3-sulfamoylbenzoic acid

HCID 14568CAS 1205-30-7

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Grundinformationen

Standard-SMILES: NS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIKey: FHQAWINGVCDTTG-UHFFFAOYSA-N
Summenformel: C7H6ClNO4S
Durchschnittliche Molmasse: 235,65 g/mol
Monoisotopische Masse: 234,97060635

Überblick

4-chloro-3-sulfamoylbenzoic acid is a sulfonamide.

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-3-sulfamoylbenzoic acid
IUPAC: 4-chloro-3-sulfamoylbenzoic acid
Lokaler Name: 4-Chlor-5-sulfamoylbenzoesure
Englischer Name: 4-Chloro-5-sulphamoylbenzoic acid
Summenformel: C7H6ClNO4S
Molmasse: 235.64

Namen und Synonyme

4-Chloro-3-sulfamoylbenzoic acid1205-30-7Benzoic acid, 3-(aminosulfonyl)-4-chloro-Sulfamido-3-chlorobenzoic acidDTXSID50152881RefChem:521500DTXCID4075372214-882-14-Chloro-5-sulphamoylbenzoic acid3-(Aminosulfonyl)-4-chlorobenzoic acid4-Chloro-3-SulfamoYl-Benzoic AcidMFCD00012375

Weitere Namen anzeigen

Clopamide EP Impurity C4-CHLORO-3-SULPHAMOYLBENZOIC ACIDUOI4- Cl - -3-Compound PDK00444-Chloro-5-sulphamoyClopamide Impurity C

BENZOIC ACID, 4-CHLORO-3-SULFAMOYL-Q45HDN52UHSCHEMBL3297324-Chloro-3-sulfamoylbenzoicacidCSBA4-Chloro-3-Sulfamoyl Benzoic Acid3-Sulfamoyl-4-chlorobenzoic Acid4-Chloro-5-sulfamoylbenzoic Acid

Datenbank-Bezeichner

CAS: 1205-30-7
PubChem CID: 14568
DTXSID: DTXSID50152881
ChEMBL: CHEMBL5497885
ChEBI: CHEBI:143391
UNII: Q45HDN52UH
EC Number: 214-882-1
Nikkaji: J65.444B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 106 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 323

Physikochemische Eigenschaften

Schmelzpunkt: 256 · 256-258 °C (lit.)
Siedepunkt: 502.4 · 502.4±60.0 °C(Predicted)
Dichte: 1.649 · 1.649±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 3.44 · 3.44±0.10(Predicted)
Farbe: White to Off-White
InChI: InChI=1S/C7H6ClNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey: FHQAWINGVCDTTG-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(Cl)C(S(N)(=O)=O)=C1
CAS Datenbank: 1205 · 1205-30-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 5.1% (3 of 59) of reports.

Warning

H315 (93.2%): Causes skin irritation [Warning Skin corrosion/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 59 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 09-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27374

Hazard Classes and CategoriesSkin Irrit. 2 (93.2%)

Sicherheitsdaten

wgk: 3
hs_code: 29350090
RTECS-Nr.: DG5642600
risk_code: 36/37/38
Toxizität: mouse,LD50,intravenous,> 2gm/kg (2000mg/kg),BEHAVIORAL: ATAXIABEHAVIORAL: TREMORLUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION,Kiso to Rinsho. Clinical Report. Vol. 16, Pg. 2275, 1982.
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3