3-Chloro-1-benzothiophene-2-carbaldehyde

HCID 818121CAS 14006-54-3

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Grundinformationen

Standard-SMILES: O=Cc1sc2ccccc2c1Cl
InChIKey: UFTPKLPCVLXBQY-UHFFFAOYSA-N
Summenformel: C9H5ClOS
Durchschnittliche Molmasse: 196,65 g/mol
Monoisotopische Masse: 195,9749636

Namen und Bezeichner

Bevorzugter Name: 3-Chloro-1-benzothiophene-2-carbaldehyde
IUPAC: 3-chloro-1-benzothiophene-2-carbaldehyde
Englischer Name: 3-Chloro-1-benzothiophene-2-carbaldehyde
Summenformel: C9H5ClOS
Molmasse: 196.65

Namen und Synonyme

14006-54-33-chloro-1-benzothiophene-2-carbaldehydeDTXSID20355908RefChem:278064DTXCID90306967800-785-73-chlorobenzo[b]thiophene-2-carbaldehydeBenzo[b]thiophene-2-carboxaldehyde, 3-chloro-3-Chloro-benzo[b]thiophene-2-carbaldehydeMFCD004890513-chlorobenzothiophene-2-carbaldehyde3-Chlorobenzo[b]thiophene-2-carboxaldehyde

Weitere Namen anzeigen

3-Chloro-2-benzothiophenecarboxaldehyde3-chloro-1-benzothiophene-2-carbaldehyde(SALTDATA: FREE)

3-CHLOROBENZO[B]THIOPHENE-2- CARBALDEHYDESCHEMBL659370SCHEMBL5394529UFTPKLPCVLXBQY-UHFFFAOYSA-NALBB-025147FD7228SBB072434AKOS001115599

Datenbank-Bezeichner

CAS: 14006-54-3
PubChem CID: 818121
DTXSID: DTXSID20355908
EC Number: 800-785-7
Nikkaji: J770.964A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 45,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 185

Physikochemische Eigenschaften

Schmelzpunkt: 112 · 112-113℃ (hexane )
Siedepunkt: 331.1 · 331.1±22.0 °C(Predicted)
Dichte: 1.439 · 1.439±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 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.