1,4-Dibromoisoquinoline

HCID 640981CAS 51206-40-7

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Grundinformationen

Standard-SMILES: Brc1cnc(Br)c2ccccc12
InChIKey: KXAHDPKQOFASEB-UHFFFAOYSA-N
Summenformel: C9H5Br2N
Durchschnittliche Molmasse: 286,95 g/mol
Monoisotopische Masse: 284,87887

Namen und Bezeichner

Bevorzugter Name: 1,4-Dibromoisoquinoline
IUPAC: 1,4-dibromoisoquinoline
Englischer Name: 1,4-DIBROMOISOQUINOLINE
Summenformel: C9H5Br2N
Molmasse: 286.95

Namen und Synonyme

1,4-dibromoisoquinoline51206-40-7isoquinoline, 1,4-dibromo-DTXSID30348841RefChem:73213DTXCID60299913849-622-1InChI=1/C9H5Br2N/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5MFCD002344751,4-DIBROMO-ISOQUINOLINESCHEMBL1446736SCHEMBL29751039

Weitere Namen anzeigen

1,4-DIBROMOISOQUINOLINE ISO 9001：2015 REACH

KXAHDPKQOFASEB-UHFFFAOYSA-NAKOS015835843DS-0347MB01038SY075942DB-071320CS-0131946EN300-398172

Datenbank-Bezeichner

CAS: 51206-40-7
PubChem CID: 640981
DTXSID: DTXSID30348841
EC Number: 849-622-1
Nikkaji: J3.783.216B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Siedepunkt: 352.5 · 352.5±22.0 °C(Predicted)
Dichte: 1.923 · 1.923
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -0.02 · -0.02±0.31(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): 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, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, 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.