4,6-Dichloro-2-methylpyrimidin-5-amine

HCID 736674CAS 39906-04-2

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Grundinformationen

Standard-SMILES: Cc1nc(Cl)c(N)c(Cl)n1
InChIKey: FKRXXAMAHOGYNT-UHFFFAOYSA-N
Summenformel: C5H5Cl2N3
Durchschnittliche Molmasse: 178,02 g/mol
Monoisotopische Masse: 176,98605252

Namen und Bezeichner

Bevorzugter Name: 4,6-Dichloro-2-methylpyrimidin-5-amine
IUPAC: 4,6-dichloro-2-methylpyrimidin-5-amine
Englischer Name: 5-Amino-4,6-dichloro-2-methylpyrimidine
Summenformel: C5H5Cl2N3
Molmasse: 178.02

Namen und Synonyme

4,6-dichloro-2-methylpyrimidin-5-amineFKRXXAMAHOGYNT-UHFFFAOYSA-RefChem:507990609-751-4InChI=1/C5H5Cl2N3/c1-2-9-4(6)3(8)5(7)10-2/h8H2,1H339906-04-25-Amino-4,6-dichloro-2-methylpyrimidine2-Methyl-4,6-dichloro-5-aminopyrimidine4,6-Dichloro-2-methyl-pyrimidin-5-ylamineMFCD00194053EN300-13082CS-W017349

Weitere Namen anzeigen

TIMTEC-BB SBB0037642-Methyl-4,6-dichloro-5-aminopMethyl-4,6-dichloro-5-aminopyrimidine4,6-dichloro-2-methyl-5-pyrimidinamine5-Amino-4,6-Dichloro-2-Methylpytimidine4,6-dichloro-2-Methyl-5-aMino-pyriMidine

SY0174815-Pyrimidinamine, 4,6-dichloro-2-methyl-4,6-dichloro-2-methyl-pyrimidin-5-amine4,6-Dichloro-2-methylpyrimidin-5-ylamineAM20100054SCHEMBL112929DTXSID60353084BDBM626011

Datenbank-Bezeichner

CAS: 39906-04-2
PubChem CID: 736674
DTXSID: DTXSID60353084
EC Number: 419-110-9、609-751-4
Nikkaji: J2.258.623H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 109

Physikochemische Eigenschaften

Schmelzpunkt: 70 · 70-73 °C (lit.)
Siedepunkt: 257.7 · 257.7±35.0 °C(Predicted)
Dichte: 1.504 · 1.504±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: -2.55 · -2.55±0.39(Predicted)
Farbe: White to Yellow to Green
InChI: InChI=1S/C5H5Cl2N3/c1-2-9-4(6)3(8)5(7)10-2/h8H2,1H3
InChIKey: FKRXXAMAHOGYNT-UHFFFAOYSA-N
SMILES: C1(C)=NC(Cl)=C(N)C(Cl)=N1
CAS Datenbank: 39906 · 39906-04-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 1.9% (1 of 54) of reports.

Warning

H315 (96.3%): 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 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/5016

Hazard Classes and CategoriesSkin Irrit. 2 (96.3%)

Sicherheitsdaten

wgk: 3
hs_code: 29335990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden5-Amino-4,6-dichloro-2-methylpyrimidine is a useful research chemical for organic synthesis and other chemical and pharmacological processes.