2-Chloro-4-aminopyrimidine

HCID 345752CAS 7461-50-9

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Grundinformationen

Standard-SMILES: Nc1ccnc(Cl)n1
InChIKey: LPBDZVNGCNTELM-UHFFFAOYSA-N
Summenformel: C4H4ClN3
Durchschnittliche Molmasse: 129,55 g/mol
Monoisotopische Masse: 129,00937481

Überblick

derivatives are tubulin polymerization inhibitors

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4-aminopyrimidine
IUPAC: 2-chloropyrimidin-4-amine
Englischer Name: 4-Amino-2-chloropyrimidine
Summenformel: C4H4ClN3
Molmasse: 129.55

Namen und Synonyme

2-Chloro-4-aminopyrimidineRefChem:5176254-Amino-2-chloropyrimidine7461-50-92-chloropyrimidin-4-amine2-Chloro-pyrimidin-4-ylamineMFCD001940512-Chloro-4-pyrimidinamine2-chloropyrimidine-4-amine4-PYRIMIDINAMINE, 2-CHLORO-2-chloropyrimidin-4-ylaminePB14147

Weitere Namen anzeigen

4-Amino-2-chloropyrimidin...4-Amino-2-chloropyrimidine >4-Amino-2-chloropyrimidine ,97%4-Pyrimidinamine, 2-chloro- (9CI)

EN300-805912-chloropyrimidine-4-ylamineAC-907/30002015NSC403512A9551FT-06012136-amino-2-chloropyrimidine2-chloro-4-pyrimidinylamine

Datenbank-Bezeichner

CAS: 7461-50-9
PubChem CID: 345752
DTXSID: DTXSID80323289
EC Number: 627-766-4
Nikkaji: J526.189I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 77,7

Physikochemische Eigenschaften

Schmelzpunkt: 197 · 197-205 °C
Siedepunkt: 338.8 · 338.8±15.0 °C(Predicted)
Dichte: 1.437 · 1.437±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 2.3 · 2.30±0.10(Predicted)
Farbe: White to Light yellow
InChI: InChI=1S/C4H4ClN3/c5-4-7-2-1-3(6)8-4/h1-2H,(H2,6,7,8)
InChIKey: LPBDZVNGCNTELM-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(N)=N1
CAS Datenbank: 7461 · 7461-50-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

Sicherheitsdaten

wgk: 3
hs_code: 29335990
risk_code: 36/37/38-36-22
hazard_code: Xn
safety_code: 26-36/37/39
hazard_class: IRRITANT-HARMFUL
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Amino-2-chloropyrimidine is a chloropyrimidine compound, which is widely used in the synthesis of various medicines and pesticides. It can be used to transform functional groups, such as amino groups, or to remove chlorine by hydrogenolysis; chlorine can also be used to couple various carbon-carbon bonds.