3-Bromopyridine-4-carboxaldehyde

HCID 2762997

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Grundinformationen

CAS: 70201-43-3
Standard-SMILES: O=Cc1ccncc1Br
InChIKey: NOBDKWLIAQKADB-UHFFFAOYSA-N
Summenformel: C6H4BrNO
Durchschnittliche Molmasse: 186,01 g/mol
Monoisotopische Masse: 184,94762585

Namen und Bezeichner

Bevorzugter Name: 3-Bromopyridine-4-carboxaldehyde
IUPAC: 3-bromopyridine-4-carbaldehyde
Englischer Name: 3-Bromo-4-formylpyridine
Summenformel: C6H4BrNO
Molmasse: 186.01

Namen und Synonyme

3-Bromopyridine-4-carboxaldehydeRefChem:499404627-770-670201-43-33-Bromo-4-pyridinecarboxaldehyde3-bromoisonicotinaldehyde3-bromopyridine-4-carbaldehyde3-BROMO-4-FORMYLPYRIDINEMFCD058645063-BROMO-4-PYRIDINECARBALDEHYDE3-bromo-pyridine-4-carbaldehyde5-bromo-pyridine-4-carbaldehyde

Weitere Namen anzeigen

CHEMBRDG-BB 40032583-BROMO-4-FORMYLPYRIDI3-Bromoisonicotinaldehyde 95%3-Bromoisonicotinaldehyde ,98%

3-bromo-pyridine-4-carboxaldehydeAKOS005258084PS-5690B2624bromoisonicotinaldehydeFT-0651205SCHEMBL5265873-bromo-4-pyridine carbaldehyde

Datenbank-Bezeichner

CAS: 70201-43-3
PubChem CID: 2762997
DTXSID: DTXSID70376648
EC Number: 627-770-6
Nikkaji: J781.473I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 107

Physikochemische Eigenschaften

Schmelzpunkt: 81 · 81-82 °C(lit.)
Siedepunkt: 246.2 · 246.2±20.0 °C(Predicted)
Dichte: 1.683 · 1.683±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Acetonitrile (Slightly), Chloroform (Slightly)
Aggregatzustand: Solid
pka: 0.9 · 0.90±0.18(Predicted)
Farbe: Light Brown
InChI: 1S/C6H4BrNO/c7-6-3-8-2-1-5(6)4-9/h1-4H
InChIKey: NOBDKWLIAQKADB-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccncc1Br

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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 45 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. 4 (93.3%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 22-36/38-43
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1