2-Amino-5-bromopyrimidine

HCID 231310CAS 7752-82-1

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Grundinformationen

Standard-SMILES: Nc1ncc(Br)cn1
InChIKey: UHRHPPKWXSNZLR-UHFFFAOYSA-N
Summenformel: C4H4BrN3
Durchschnittliche Molmasse: 174 g/mol
Monoisotopische Masse: 172,95885923

Namen und Bezeichner

Bevorzugter Name: 2-Amino-5-bromopyrimidine
IUPAC: 5-bromopyrimidin-2-amine
Englischer Name: 2-Amino-5-bromopyrimidine
Summenformel: C4H4BrN3
Molmasse: 174

Namen und Synonyme

2-Amino-5-bromopyrimidine7752-82-12-Pyrimidinamine, 5-bromo-RefChem:464543629-581-45-bromopyrimidin-2-amine5-bromo-2-aminopyrimidine5-bromopyrimidin-2-ylamine5-Bromo-2-pyrimidinamineMFCD00012341Pyrimidine, 2-amino-5-bromo-CL1918

Weitere Namen anzeigen

RUNA811NSC 27269TIMTEC-BB SBB0001842-Amino-5-bromopyrimide2-Amino-5-Bormopyrimidine

5-bromopyrimidine-2-ylamineAC-907/250140212-Amino-5-bromopyrimidine;2-Amino-5-bromopyrimidineSR-01000639998-1Z7295582645-bromopyrimidine-2-amine2-amino-5-bromo-pyrimidineBCP22782

Datenbank-Bezeichner

CAS: 7752-82-1
PubChem CID: 231310
DTXSID: DTXSID80998719
EC Number: 629-581-4
Nikkaji: J117.025B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 69,7

Physikochemische Eigenschaften

Schmelzpunkt: 241 · 241-243 °C (lit.)
Siedepunkt: 340.7 · 340.7±34.0 °C(Predicted)
Dichte: 1.844 · 1.844±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly, Heated)
Aggregatzustand: Crystalline Powder, Crystals or Flakes
pka: 1.93 · 1.93±0.10(Predicted)
Farbe: White to light beige
Wasserlöslichkeit: Insoluble
InChI: InChI=1S/C4H4BrN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
InChIKey: UHRHPPKWXSNZLR-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Br)C=N1
CAS Datenbank: 7752 · 7752-82-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information2-Pyrimidinamine, 5-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3077 9/PG 3
hs_code: 29335995
risk_code: 22-36-50/53
hazard_code: Xn,N,Xi
hazard_note: Harmful
safety_code: 26-60-61
hazard_class: IRRITANT, IRRITANT-HARMFUL
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Amino-5-bromopyrimidine was employed:in synthesis of pyridine, pyrimidine and pyridinone C-nucleoside phosphoramiditesin synthesis of 2-phthalimido-5-bromopyrimidineas intermediate for the preparation of sulfanilamides and amino acids containing the pyrimidine ring system. The products are potential antiviral agents