5,6-Dichloro-pyrimidin-4-ylamine

HCID 24219262

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Grundinformationen

CAS: 310400-38-5
Standard-SMILES: Nc1ncnc(Cl)c1Cl
InChIKey: ISTJUVRUUBNZNB-UHFFFAOYSA-N
Summenformel: C4H3Cl2N3
Durchschnittliche Molmasse: 163,99 g/mol
Monoisotopische Masse: 162,97040246

Namen und Bezeichner

Bevorzugter Name: 5,6-Dichloro-pyrimidin-4-ylamine
IUPAC: 5,6-dichloropyrimidin-4-amine
Englischer Name: 5,6-dichloropyrimidin-4-amine
Summenformel: C4H3Cl2N3
Molmasse: 163.99

Namen und Synonyme

5,6-Dichloro-pyrimidin-4-ylamineRefChem:528004815-619-94-Amino-5,6-dichloropyrimidine310400-38-55,6-dichloropyrimidin-4-amine4-Pyrimidinamine, 5,6-dichloro-MFCD09837293SCHEMBL1440581SB16106AC-27681DS-11197

Weitere Namen anzeigen

5,6-dichloropyrimidine-4-amine4-Amino-5,6-dichloropyrimidine,98%4-Pyrimidinamine,5,6-dichloro-(9CI)

CS-0019047EN300-129383FT-06492015,6-Dichloro-4-pyrimidinamineSCHEMBL29799474DTXSID40640045BDBM626008BBL101686

Datenbank-Bezeichner

CAS: 310400-38-5
PubChem CID: 24219262
DTXSID: DTXSID40640045
EC Number: 815-619-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 99,8

Physikochemische Eigenschaften

Schmelzpunkt: 214 · 214 - 216°C
Siedepunkt: 301.8 · 301.8±37.0 °C(Predicted)
Dichte: 1.606 · 1.606
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Sparingly), Methanol (Slightly)
pka: 0.3 · 0.30±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C4H3Cl2N3/c5-2-3(6)8-1-9-4(2)7/h1H,(H2,7,8,9)
InChIKey: ISTJUVRUUBNZNB-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=C(Cl)C(N)=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 28-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32703

Hazard Classes and CategoriesAcute Tox. 3 (25%)

Sicherheitsdaten

wgk: WGK 3
ridadr: UN2811
hs_code: 2933599590
risk_code: 41
safety_code: 26-39
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1