4-(1,2,3-Thiadiazol-4-Yl)Phenol

HCID 2796860CAS 59834-05-8

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Grundinformationen

Standard-SMILES: Oc1ccc(-c2csnn2)cc1
InChIKey: WZYGGUZFRLVCJT-UHFFFAOYSA-N
Summenformel: C8H6N2OS
Durchschnittliche Molmasse: 178,21 g/mol
Monoisotopische Masse: 178,02008399

Namen und Bezeichner

Bevorzugter Name: 4-(1,2,3-Thiadiazol-4-Yl)Phenol
IUPAC: 4-(thiadiazol-4-yl)phenol
Englischer Name: 4-(1,2,3-THIADIAZOL-4-YL)PHENOL
Summenformel: C8H6N2OS
Molmasse: 178.21

Namen und Synonyme

4-(1,2,3-Thiadiazol-4-Yl)Phenol59834-05-8DTXSID90383859RefChem:286557DTXCID10334883674-370-24-(thiadiazol-4-yl)phenolMFCD000521064-(1,2,3-thiadiazol-4-yl)-phenolBionet2_000865SCHEMBL1673852WZYGGUZFRLVCJT-UHFFFAOYSA-N

Weitere Namen anzeigen

4-(4-thiadiazolyl)phenol4-(1,2,3-THIADIAZOL-4-YL)BENZENOLPhenol, 4-(1,2,3-thiadiazol-4-yl)-4-(1,2,3-Thiadiazol-4-yl)phenol 95+%4-(1,2,3-Thiadiazol-4-yl)phenol ,97%4-(4-HYDROXYPHENYL)-1,2,3-THIADIAZOLE

HMS1366H07JCA834054-[1,2,3]thiadiazol-4-yl-phenolSBB0793384-[1,2,3]-thiadiazol-4-yl-phenolAKOS0062294034-(4-hydroxyphenyl)1,2,3-thiadiazole4-(4-hydroxyphenyl)1,2,3-thia-diazole

Datenbank-Bezeichner

CAS: 59834-05-8
PubChem CID: 2796860
DTXSID: DTXSID90383859
EC Number: 674-370-2
Nikkaji: J2.743.330H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 74,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 148

Physikochemische Eigenschaften

Siedepunkt: 105 · 105/0.75mm
Aggregatzustand: solid
Farbe: brown
InChI: 1S/C8H6N2OS/c11-7-3-1-6(2-4-7)8-5-12-10-9-8/h1-5,11H
InChIKey: WZYGGUZFRLVCJT-UHFFFAOYSA-N
SMILES: OC1=CC=C(C=C1)C2=CSN=N2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.