5-Bromothiophene-3-carbaldehyde

HCID 12284894

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Grundinformationen

CAS: 18791-79-2
Standard-SMILES: O=Cc1csc(Br)c1
InChIKey: ZKLBPUYMTHPNOQ-UHFFFAOYSA-N
Summenformel: C5H3BrOS
Durchschnittliche Molmasse: 191,05 g/mol
Monoisotopische Masse: 189,9088

Namen und Bezeichner

Bevorzugter Name: 5-Bromothiophene-3-carbaldehyde
IUPAC: 5-bromothiophene-3-carbaldehyde
Englischer Name: 2-BROMOTHIOPHEN-4-ALDEHYDE
Summenformel: C5H3BrOS
Molmasse: 191.05

Namen und Synonyme

5-bromothiophene-3-carbaldehyde18791-79-25-bromo-3-thiophenecarboxaldehydeDTXSID20484383RefChem:534138DTXCID20435193803-240-12-Bromothiophen-4-aldehyde3-THIOPHENECARBOXALDEHYDE, 5-BROMO-5-Bromo-3-thiophenecarbaldehyde5-BROMOTHIOPHENE-3-CARBOXALDEHYDEMFCD09042555

Weitere Namen anzeigen

5-Bromothiophen-3-carbaldehyde2-Bromothiophene-4-carboxaldehyde5-Bromothiophene-3-carboxaldehyde97%5-Bromothiophene-3-carboxaldehyde 97%

5-BROMO-THIOPHENE-3-CARBALDEHYDE2-BROMOTHIOPHENE-4-CARBALDEHYDESCHEMBL154878SCHEMBL204487632-bromo-4-thiophenecarboxaldehydeZKLBPUYMTHPNOQ-UHFFFAOYSA-NALBB-027002SBB062754

Datenbank-Bezeichner

CAS: 18791-79-2
PubChem CID: 12284894
DTXSID: DTXSID20484383
EC Number: 803-240-1
Nikkaji: J148.058H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 45,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 96

Physikochemische Eigenschaften

Dichte: 1.757 g/mL · 1.757 g/mL at 25 °C
Brechungsindex: 20 · n20/D1.624
Flammpunkt: 110 ℃ · >110℃
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
Farbe: Clear khaki
Siedepunkt: 237 · 237-242°C
InChI: InChI=1S/C5H3BrOS/c6-5-1-4(2-7)3-8-5/h1-3H
InChIKey: ZKLBPUYMTHPNOQ-UHFFFAOYSA-N
SMILES: C1SC(Br)=CC=1C=O
CAS Datenbank: 18791 · 18791-79-2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (97.4%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2934999090
risk_code: 22-36/37/38-43
hazard_code: Xn
safety_code: 26-36/37
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3