4-Amino-5-bromo-2-chloropyrimidine

HCID 2763293CAS 205672-25-9

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Grundinformationen

Standard-SMILES: Nc1nc(Cl)ncc1Br
InChIKey: QOWALNIZDHZTSM-UHFFFAOYSA-N
Summenformel: C4H3BrClN3
Durchschnittliche Molmasse: 208,44 g/mol
Monoisotopische Masse: 206,91988688

Namen und Bezeichner

Bevorzugter Name: 4-Amino-5-bromo-2-chloropyrimidine
IUPAC: 5-bromo-2-chloropyrimidin-4-amine
Englischer Name: 4-Amino-5-bromo-2-chloropyrimidine
Summenformel: C4H3BrClN3
Molmasse: 208.44

Namen und Synonyme

4-Amino-5-bromo-2-chloropyrimidine205672-25-9DTXSID00376878RefChem:517922DTXCID00327906639-424-15-bromo-2-chloropyrimidin-4-amine4-Pyrimidinamine, 5-bromo-2-chloro-5-BROMO-2-CHLORO-4-PYRIMIDINAMINEMFCD077820405-bromo-2-chloro-pyrimidin-4-ylamineSCHEMBL246368

Weitere Namen anzeigen

CAS:205672-25-94-Amino-5-bromo-2-chloropyrimidin4-AMINO-5-BROMO-2-CHLOROPYRIMIDINE, 95+%5-Bromo-2-chloropyrimidin-4-amine, 4-Amino-5-bromo-2-chloro-1,3-diazine

AMY2455-bromo-2-chloro-pyrimidin-4-amine5-bromo-2-chloropyrimidine-4-ylamineQOWALNIZDHZTSM-UHFSCHEMBL31259503QOWALNIZDHZTSM-UHFFFAOYSA-N5-Bromo-2-chloropyrimidin-4-ylamineSBB070457

Datenbank-Bezeichner

CAS: 205672-25-9
PubChem CID: 2763293
DTXSID: DTXSID00376878
EC Number: 639-424-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 102

Physikochemische Eigenschaften

Schmelzpunkt: 187 · 187-188 °C(Solv: acetonitrile (75-05-8))
Siedepunkt: 369.8 · 369.8±22.0 °C(Predicted)
Dichte: 1.96 · 1.960±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 0.68 · 0.68±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear brown to purple
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C4H3BrClN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9)
InChIKey: QOWALNIZDHZTSM-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(Br)C(N)=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: WGK 3
ridadr: UN2811
hs_code: 29335990
risk_code: 22-37/38-41-36/37/38
hazard_code: Xi,Xn
safety_code: 26-39-36/37/39
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Amino-5-bromo-2-chloropyrimidine is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.