2,4-Dichloro-1,3-thiazole-5-carboxaldehyde

HCID 1488672

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Grundinformationen

CAS: 92972-48-0
Standard-SMILES: O=Cc1sc(Cl)nc1Cl
InChIKey: CFEKBKCGPASOFI-UHFFFAOYSA-N
Summenformel: C4HCl2NOS
Durchschnittliche Molmasse: 182,03 g/mol
Monoisotopische Masse: 180,91559001

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloro-1,3-thiazole-5-carboxaldehyde
IUPAC: 2,4-dichloro-1,3-thiazole-5-carbaldehyde
Englischer Name: 2,4-Dichloro-5-thiazolecarboxaldehyde
Summenformel: C4HCl2NOS
Molmasse: 182.03

Namen und Synonyme

2,4-DICHLORO-1,3-THIAZOLE-5-CARBOXALDEHYDERefChem:443245677-386-892972-48-02,4-Dichloro-5-thiazolecarboxaldehyde2,4-dichlorothiazole-5-carbaldehyde2,4-dichloro-1,3-thiazole-5-carbaldehyde2,4-Dichloro-5-formylthiazole2,4-Dichlorothiazole-5-carboxaldehyde5-Thiazolecarboxaldehyde, 2,4-dichloro-MFCD007930132,4-Dichloro-thiazole-5-carbaldehyde

Weitere Namen anzeigen

e-5-carbaLoro-1,3-thiazoLBUTTPARK 121\04-87IFLAB-BB F2124-06862,4-Dichloro-5-formyl-1,3-thiazole2,4-Dichloro-thiazol-5-carbaldehyde

SCHEMBL859722AKOS000117274AC-24709SY0140772,4-DICHLOROTHIAZOL-5-CARBOXALDEHYDE2,4-Dichlorothiazole-5-carboxaldehyde, 97%EN300-072159L-743

Datenbank-Bezeichner

CAS: 92972-48-0
PubChem CID: 1488672
DTXSID: DTXSID70363391
EC Number: 677-386-8
Nikkaji: J469.650F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 58,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 123

Physikochemische Eigenschaften

Schmelzpunkt: 47 · 47-53℃
Siedepunkt: 307.1 · 307.1±45.0 °C(Predicted)
Dichte: 1.69 · 1.690±0.06 g/cm3(Predicted)
Flammpunkt: 110 °C · >110°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: -3.71 · -3.71±0.10(Predicted)
Farbe: Pale Beige
InChI: 1S/C4HCl2NOS/c5-3-2(1-8)9-4(6)7-3/h1H
InChIKey: CFEKBKCGPASOFI-UHFFFAOYSA-N
SMILES: Clc1nc(Cl)c(C=O)s1
CAS Datenbank: 92972 · 92972-48-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (88.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (88.6%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29341000
risk_code: 36/37/38-36-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: 6.1
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden2,4-Dichloro-5-thiazolecarboxaldehyde is used in the synthesis of some novel thiazolidine-2,4-dione derivatives having antimicrobial activity.