2-iodobenzenesulfonic Acid

HCID 2778247

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Grundinformationen

CAS: 63059-25-6
Standard-SMILES: O=S(=O)(O)c1ccccc1I
InChIKey: ZJTNYBYLBTVLRD-UHFFFAOYSA-N
Summenformel: C6H5IO3S
Durchschnittliche Molmasse: 284,07 g/mol
Monoisotopische Masse: 283,90041

Namen und Bezeichner

Bevorzugter Name: 2-iodobenzenesulfonic Acid
IUPAC: 2-iodobenzenesulfonic acid
Englischer Name: 2-IODOBENZENESULFONIC ACID
Summenformel: C6H5IO3S
Molmasse: 284.07

Namen und Synonyme

2-iodobenzenesulfonic Acid63059-25-6DTXSID30380827RefChem:262258DTXCID10331852858-827-52-Iodobenzenesulphonic acid2-iodobenzene-1-sulfonic acidBenzenesulfonic acid, 2-iodo-C6H5IO3SMFCD018602322-IODOBENZENESULFONICACID

Weitere Namen anzeigen

2-Iodobenzenesulfonic Acid Hydrate

SCHEMBL2567985AKOS015890836BCP21688o-Iodobenzenesulfonic acidSCHEMBL7430693SCHEMBL29566694SBB055489FI15269

Datenbank-Bezeichner

CAS: 63059-25-6
PubChem CID: 2778247
DTXSID: DTXSID30380827
EC Number: 858-827-5
Nikkaji: J2.680.614C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 62,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 218

Physikochemische Eigenschaften

Schmelzpunkt: 344 · 344-345 °C
Dichte: 2.115 · 2.115±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Wasserlöslichkeit: Soluble in water
Aggregatzustand: powder to crystaline
pka: -1.01 · -1.01±0.15(Predicted)
Farbe: White to Almost white

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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.