2,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine

HCID 57415902

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Grundinformationen

CAS: 1012785-51-1
Standard-SMILES: Clc1nc(Cl)c2c(I)c[nH]c2n1
InChIKey: RIRSSBIXHXMTLS-UHFFFAOYSA-N
Summenformel: C6H2Cl2IN3
Durchschnittliche Molmasse: 313,91 g/mol
Monoisotopische Masse: 312,86705

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidine
IUPAC: 2,4-dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
Englischer Name: 2,4-Dichloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
Summenformel: C6H2Cl2IN3
Molmasse: 313.91

Namen und Synonyme

2,4-DICHLORO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDINE1012785-51-1DTXSID607255852,4-Dichloro-5-iodo-7H-pyrrolo(2,3-d)pyrimidineRefChem:246239DTXCID50676330813-160-9MFCD131893647H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-5-iodo-SCHEMBL1017711AKOS016001612CS-W005702

Weitere Namen anzeigen

RW40632,4-Dichloro-5-iodo-7H-py...2,4-DICHLORO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN

SB10375DS-11442SY058440AM10272FT-0742010SCHEMBL2208829CHEMBL6192345DA-16381

Datenbank-Bezeichner

CAS: 1012785-51-1
PubChem CID: 57415902
DTXSID: DTXSID60725585
ChEMBL: CHEMBL6192345
EC Number: 813-160-9
Nikkaji: J2.613.864G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 41,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 182

Physikochemische Eigenschaften

Schmelzpunkt: 224 °C · 224 °C(Solv: dichloromethane (75-09-2))
Dichte: 2.337 · 2.337±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 8.78 · 8.78±0.50(Predicted)
Aggregatzustand: powder
Farbe: Light yellow
CAS Datenbank: 1012785 · 1012785-51-1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.