4-Chlorothieno[3,2-d]pyrimidine

KML-21 · CML-006 · 4-chlorothieno[3 · BUTTPARK 37\11-73 · BUTTPARK 48\18-41 · 4-Chlorothieno[3,2-d]pyri... · 4-CHLOROTHIENO[3,2-D]PYRIMIDINE · 4-CHLOROTHIENO[2,3-D]PYRIMIDINE

https://huagongshe.com/de/chemical/2735821

Molekülstruktur von 4-Chlorothieno[3,2-d]pyrimidine

Identifikatoren & physikalische Daten

CAS No.	16269-66-2
Summenformel	C6H3ClN2S
Durchschnittliche Molmasse	170,62 g/mol
Monoisotopische Masse	169,97054678 g/mol
SMILES	Clc1ncnc2ccsc12
InChIKey	TWTODSLDHCDLDR-UHFFFAOYSA-N
PubChem CID	2735821
ChEMBL	CHEMBL2113964
EC No.	673-126-2
DTXSID	DTXSID10370968

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	54
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	133
LogP (Verteilungskoeffizient)	1.79
Schmelzpunkt	125 °C
Siedepunkt	285.7±20.0 °C(Predicted)
Dichte	1.531±0.06 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand	crystalline powder
pKa (Säurekonstante)	0.54±0.40(Predicted)
Farbe	Yellow
CAS Datenbank	16269-66-2(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (33.3%)
UN-Transportnummer	UN2811
Zollcode	29335990
R-Sätze (R)	22-36/37/38-36-25
Gefahrensymbole	Xi,Xn,T
Sicherheitshinweise (S)	26-37/39-45
Gefahrenklasse	IRRITANT

Anwendungen & Verwendung

Verwenden

4-Chlorothieno[3,2-d]pyrimidine serves as a precursor for synthesizing substituted thienopyrimidine derivatives through nucleophilic aromatic substitution with various amines, including substituted anilines and N-methyl-4-methoxyaniline[5].