2,4-Dichloro-5-fluoropyrimidine

HCID 250705CAS 2927-71-1

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Grundinformationen

Standard-SMILES: Fc1cnc(Cl)nc1Cl
InChIKey: WHPFEQUEHBULBW-UHFFFAOYSA-N
Summenformel: C4HCl2FN2
Durchschnittliche Molmasse: 166,97 g/mol
Monoisotopische Masse: 165,95008161

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloro-5-fluoropyrimidine
IUPAC: 2,4-dichloro-5-fluoropyrimidine
Englischer Name: 2,4-Dichloro-5-fluoropyrimidine
Summenformel: C4HCl2FN2
Molmasse: 166.97

Namen und Synonyme

2,4-Dichloro-5-fluoropyrimidine2927-71-1DTXSID00290702RefChem:82334DTXCID30241848625-810-7WHPFEQUEHBULBW-UHFFFAOYSA-N5-fluoro-2,4-dichloropyrimidinePYRIMIDINE, 2,4-DICHLORO-5-FLUORO-2,4-dichloro-5-fluoro-pyrimidineMFCD00233551C4HCl2FN2

Weitere Namen anzeigen

oro-5-fLNSC 70442uoropyrimidineCHEMPACIFIC 37950Fluorouracil Impurity 92,6-DICHLORO-5-FLUORORACIL2,4-Dichloro-5-fluorouracil4-Dichloro-5-fluoropyriMidine

2,4-dichloro-5-fluoro pyrimidineNSC-704422,6-DICHLORO-5-FLUOROPYRIMIDINENSC70442BLQ52TC9PWNCIOpen2_000539SCHEMBL1906572,4-dichloro-5fluoropyrimidine

Datenbank-Bezeichner

CAS: 2927-71-1
PubChem CID: 250705
DTXSID: DTXSID00290702
UNII: BLQ52TC9PW
EC Number: 625-810-7
Nikkaji: J526.210K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 103

Physikochemische Eigenschaften

Schmelzpunkt: 37 · 37-41 °C (lit.)
Siedepunkt: 80 °C · 80 °C / 16mmHg
Dichte: 1.605 · 1.605±0.06 g/cm3(Predicted)
Flammpunkt: 223 °F · 223 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: soluble in Chloroform, Methanol
pka: -3.96 · -3.96±0.29(Predicted)
Aggregatzustand: Powder or Crystalline Powder or Low Melting Solid
Farbe: White to pale brown
InChI: InChI=1S/C4HCl2FN2/c5-3-2(7)1-8-4(6)9-3/h1H
InChIKey: WHPFEQUEHBULBW-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(F)C(Cl)=N1
CAS Datenbank: 2927 · 2927-71-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (85.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 01-08-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18434

Hazard Classes and CategoriesAcute Tox. 4 (85.5%)

Sicherheitsdaten

wgk: 3
ridadr: 3261
hs_code: 29335990
risk_code: 36/37/38-34-22
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 26-36-37/39-45-36/37/39
hazard_class: 8
packing_group: Ⅲ
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSkin Sens. 1A

Chemie und Industrie

Anwendungen

Verwenden2,4-Dichloro-5-fluoropyrimidine is used in the synthesis of two glucuronic derivatives of 5-fluorouracil as neoplasm inhibitors. It is used in the synthesis of two glucuronic derivatives of 5-fluorouracil as neoplasm inhibitors.