CAS 1289197-78-9 2-Bromo-4-chloropyridine-3-carbaldehyde (HCID 86683914)

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Grundinformationen

CAS: 1289197-78-9
Standard-SMILES: O=Cc1c(Cl)ccnc1Br
InChIKey: KCOAVFRTHTWKDO-UHFFFAOYSA-N
Summenformel: C6H3BrClNO
Durchschnittliche Molmasse: 220,45 g/mol

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-4-chloropyridine-3-carbaldehyde
IUPAC: 2-bromo-4-chloropyridine-3-carbaldehyde
Englischer Name: 2-bromo-4-chloronicotinaldehyde
Summenformel: C6H3BrClNO
Molmasse: 220.45

Namen und Synonyme

1289197-78-92-bromo-4-chloropyridine-3-carbaldehydeRefChem:466503802-997-52-Bromo-4-chloronicotinaldehyde3-Pyridinecarboxaldehyde, 2-bromo-4-chloro-MFCD200400812-bromo-4-chloropyridine-3-carboxaldehyde2-Bromo-4-chloro-3-pyridinecarboxaldehydeSCHEMBL3649684AKOS0273210652-bromo-4-chloro-pyridine-3-carbaldehyde

Weitere Namen anzeigen

2-Bromo-4-chloropyridine-3-carboxaldehyde 97%

AMY14129SB184PBC19778SB18462AS-36678DA-26855SY0996532-Bromo-4-chloropyridine-4-carboxaldehyde

Datenbank-Bezeichner

CAS: 1289197-78-9
PubChem CID: 86683914
EC Number: 802-997-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 133

Physikochemische Eigenschaften

Schmelzpunkt: 83 · 83-87°C
Siedepunkt: 283.2 · 283.2±35.0 °C(Predicted)
Dichte: 1.8 · 1.800±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
pka: -1.17 · -1.17±0.10(Predicted)
InChI: InChI=1S/C6H3BrClNO/c7-6-4(3-10)5(8)1-2-9-6/h1-3H
InChIKey: KCOAVFRTHTWKDO-UHFFFAOYSA-N
SMILES: C1(Br)=NC=CC(Cl)=C1C=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933399990
risk_code: 25-36
hazard_code: T,Xi
safety_code: 26-45
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2