5-Bromo-2-iodopyrimidine

HCID 7006651

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Grundinformationen

CAS: 183438-24-6
Standard-SMILES: Brc1cnc(I)nc1
InChIKey: ZEZKXPQIDURFKA-UHFFFAOYSA-N
Summenformel: C4H2BrIN2
Durchschnittliche Molmasse: 284,88 g/mol
Monoisotopische Masse: 283,84461

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-iodopyrimidine
IUPAC: 5-bromo-2-iodopyrimidine
Englischer Name: 5-Bromo-2-iodopyrimidine
Summenformel: C4H2BrIN2
Molmasse: 284.88

Namen und Synonyme

5-Bromo-2-iodopyrimidine183438-24-6DTXSID90426513RefChem:102135DTXCID20377347626-839-8Pyrimidine, 5-bromo-2-iodo-5-bromo-2-iodo-pyrimidineMFCD013181112-IODO-5-BROMOPYRIMIDINE2-Iodo-5-bromo-pyrimidineSCHEMBL66818

Weitere Namen anzeigen

2-broMo-5-iodopyriMidine5-Bromo-2-iod5-bromo-2-iodimidine5-Brom-2-iodpyrimidin5-Bromo-iodopyrimidine5-bromo-2-iodopyrimine5-Brmo-2-iodopyrimidine5-Bromo-2-iodo-1,3-diazine

5-Bromo-2-iodopyrimidine, 97%CS-D0840SBB054488AKOS005137881AC-2549PB12227PS-7197SY001974

Datenbank-Bezeichner

CAS: 183438-24-6
PubChem CID: 7006651
DTXSID: DTXSID90426513
EC Number: 626-839-8
Nikkaji: J1.569.036D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 72

Physikochemische Eigenschaften

Schmelzpunkt: 99 · 99-103 °C (lit.)
Siedepunkt: 341 · 341.0±34.0 °C(Predicted)
Dichte: 2.495 · 2.495±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: -2.56 · -2.56±0.22(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to tan
InChI: InChI=1S/C4H2BrIN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKey: ZEZKXPQIDURFKA-UHFFFAOYSA-N
SMILES: C1(I)=NC=C(Br)C=N1
CAS Datenbank: 183438 · 183438-24-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (83%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (79.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (17%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (17%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, 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 53 reports by companies from 9 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.