3,5-Dibromo-4-pyridinecarboxaldehyde

HCID 2762998

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 70201-42-2
Standard-SMILES: O=Cc1c(Br)cncc1Br
InChIKey: WPBYVMDYYFWYAY-UHFFFAOYSA-N
Summenformel: C6H3Br2NO
Durchschnittliche Molmasse: 264,9 g/mol
Monoisotopische Masse: 262,85813792

Namen und Bezeichner

Bevorzugter Name: 3,5-Dibromo-4-pyridinecarboxaldehyde
IUPAC: 3,5-dibromopyridine-4-carbaldehyde
Englischer Name: 3,5-Dibromopyridine-4-carboxaldehyde
Summenformel: C6H3Br2NO
Molmasse: 264.9

Namen und Synonyme

3,5-Dibromo-4-pyridinecarboxaldehydeRefChem:486651628-673-170201-42-23,5-dibromopyridine-4-carbaldehyde3,5-dibromoisonicotinaldehyde3,5-Dibromopyridine-4-carboxaldehydeMFCD064106813,5-DIBROMO-4-FORMYLPYRIDINE3,5-dibromoisonicotin-aldehyde3,5-dibromo-pyridine-4-carbaldehydeAC-7003

Weitere Namen anzeigen

3,5-DibromoisonicotinaL5-Dibromo-4-pyridinecarboxaldehyde3,5-DibroMo-4-pyridinecarboxaldehyde 97%

SB40473DS-11010D4674Z12692070624-Pyridinecarboxaldehyde, 3,5-dibromo-3,5-DIBROMO-4-PYRIDINECARBALDEHYDEA9271FT-0658278

Datenbank-Bezeichner

CAS: 70201-42-2
PubChem CID: 2762998
DTXSID: DTXSID30376649
EC Number: 628-673-1
Nikkaji: J725.268D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 121

Physikochemische Eigenschaften

Schmelzpunkt: 118 · 118-122 °C (lit.)
Siedepunkt: 278.1 · 278.1±35.0 °C(Predicted)
Dichte: 2.09 · 2.090±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: Choroform (Slightly), Methanol (Slightly, Sonicated)
Aggregatzustand: Solid
pka: -1.47 · -1.47±0.28(Predicted)
Farbe: Pale Yellow to Light Yellow
InChI: InChI=1S/C6H3Br2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H
InChIKey: WPBYVMDYYFWYAY-UHFFFAOYSA-N
SMILES: C1=NC=C(Br)C(C=O)=C1Br

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, 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 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (97.7%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 2933399990
risk_code: 22-36/37/38-43
hazard_code: Xn
safety_code: 26-36/37
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3,5-Dibromo-4-pyridinecarboxaldehyde is easily soluble in water and miscible with organic solvents. It is used as an intermediate for synthesising the insecticide pyrazinone and in textiles to improve the stiffness of cotton fabrics.