4-Iodobenzene-1-thiol

HCID 656900CAS 52928-01-5

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Grundinformationen

Standard-SMILES: Sc1ccc(I)cc1
InChIKey: IKZUTVQEBGHQJA-UHFFFAOYSA-N
Summenformel: C6H5IS
Durchschnittliche Molmasse: 236,08 g/mol
Monoisotopische Masse: 235,91567

Namen und Bezeichner

Bevorzugter Name: 4-Iodobenzene-1-thiol
IUPAC: 4-iodobenzenethiol
Englischer Name: 4-iodobenzene-1-thiol
Summenformel: C6H5IS
Molmasse: 236.07

Namen und Synonyme

4-iodobenzene-1-thiolRefChem:524240821-453-84-iodobenzenethiol52928-01-54-iodothiophenolp-iodothiophenolMFCD016324424-iodo-benzenethiol4-IODO-BENZENETHIOL (WITH THE DIMMER IMPURITY)Benzenethiol, 4-iodo-SCHEMBL48310

Weitere Namen anzeigen

p-IodobenzenethiolIKZUTVQEBGHQJA-UHFFFAOYSA-N

SCHEMBL2092711SKL557DTXSID40349667CCA92801AS-83007SY225926DB-3323644-Iodo-benzenethiol (with the dimer impurity)

Datenbank-Bezeichner

CAS: 52928-01-5
PubChem CID: 656900
DTXSID: DTXSID40349667
EC Number: 821-453-8
Nikkaji: J1.432.315E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 66

Physikochemische Eigenschaften

Schmelzpunkt: 85 °C · 85 °C(Solv: ethanol (64-17-5))
Siedepunkt: 252.1 · 252.1±23.0 °C(Predicted)
Dichte: 1.901 · 1.901±0.06 g/cm3(Predicted)
pka: 6.07 · 6.07±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 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.