4-Chloro-7-methylthieno(3,2-d)pyrimidine

HCID 2777586CAS 175137-21-0

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Grundinformationen

Standard-SMILES: Cc1csc2c(Cl)ncnc12
InChIKey: IYJDOVYAFDVIDB-UHFFFAOYSA-N
Summenformel: C7H5ClN2S
Durchschnittliche Molmasse: 184,65 g/mol
Monoisotopische Masse: 183,98619684

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-7-methylthieno(3,2-d)pyrimidine
IUPAC: 4-chloro-7-methylthieno[3,2-d]pyrimidine
Englischer Name: 4-Chloro-7-methylthieno[3,2-d]pyrimidine
Summenformel: C7H5ClN2S
Molmasse: 184.65

Namen und Synonyme

4-chloro-7-methylthieno[3,2-d]pyrimidine175137-21-0DTXSID603805774-Chloro-7-methylthieno(3,2-d)pyrimidineRefChem:291933DTXCID40331603639-284-1Thieno[3,2-d]pyrimidine, 4-chloro-7-methyl-MFCD002052024-chloro-7-methyl-thieno[3,2-d]pyrimidineSCHEMBL358216Thieno[3,2-d]pyrimidine,4-chloro-7-methyl-

Weitere Namen anzeigen

Compound Fr12507BUTTPARK 46\18-894-Chloro-7-Methylthieno[3...7-CHLORO-3-METHYLTHIENO(3,2-D)PYRIMIDINE4-Chloro-7-methylthieno[2,3-d]pyrimidine4-Chloro-7-methylthieno[3,2-d]pyrimidine97%4-Chloro-7-methylthieno[3,2-d]pyrimidine 97%4-CHLORO-7-METHYLTHIENO[3,2-D]PYRIMIDINE ISO 9001：2015 REACH

orb3169968SCHEMBL20895572Fr12507CS-D1272STR06851SBB054737AKOS006228233PB15656

Datenbank-Bezeichner

CAS: 175137-21-0
PubChem CID: 2777586
DTXSID: DTXSID60380577
EC Number: 639-284-1
Nikkaji: J2.865.933D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 54 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 155

Physikochemische Eigenschaften

Schmelzpunkt: 124 °C · 124 °C
Siedepunkt: 301.3 · 301.3±37.0 °C(Predicted)
Dichte: 1.445 · 1.445±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 0.78 · 0.78±0.40(Predicted)
InChI: InChI=1S/C7H5ClN2S/c1-4-2-11-6-5(4)9-3-10-7(6)8/h2-3H,1H3
InChIKey: IYJDOVYAFDVIDB-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=C2SC=C(C)C2=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.