2,4-Dichloro-5-iodopyrimidine

HCID 263438

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Grundinformationen

CAS: 13544-44-0
Standard-SMILES: Clc1ncc(I)c(Cl)n1
InChIKey: RGJNPJRAXMSHKN-UHFFFAOYSA-N
Summenformel: C4HCl2IN2
Durchschnittliche Molmasse: 274,87 g/mol
Monoisotopische Masse: 273,85615139

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloro-5-iodopyrimidine
IUPAC: 2,4-dichloro-5-iodopyrimidine
Englischer Name: 2, 4-DICHLORO-5-IODOPYRIMIDINE
Summenformel: C4HCl2IN2
Molmasse: 274.87

Namen und Synonyme

2,4-Dichloro-5-iodopyrimidine13544-44-0DTXSID90294754RefChem:443303DTXCID00245893621-974-9MFCD018980872, 4-dichloro-5-iodopyrimidine2,4-Dichloro-5-iodo-pyrimidine5-iodo-2,4-dichloropyrimidinePYRIMIDINE, 2,4-DICHLORO-5-IODO-NSC97872

Weitere Namen anzeigen

GS-5894oro-5-iodopyrimidine2, 4-dichloro-5-iodimidine2,4-Dichloro-5-iodo-1,3-diazine2,4-Dichloro-5-iodopyrimidine>2,4-Dichloro-5-iodopyrimidine 95%2,4-Dichloro-5-iodopyriMidine, 95+%

NCIOpen2_0065332,4-Chloro-5-iodopyrimidineSCHEMBL117265orb1908156SCHEMBL294575985-iodo-2, 4-dichloropyrimidineTNU0844WLZ5106

Datenbank-Bezeichner

CAS: 13544-44-0
PubChem CID: 263438
DTXSID: DTXSID90294754
EC Number: 621-974-9
Nikkaji: J2.834.916E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 103

Physikochemische Eigenschaften

Schmelzpunkt: 68 to · 68.0 to 72.0 °C
Siedepunkt: 310.2 · 310.2±22.0 °C(Predicted)
Dichte: 2 · 2+-.0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: -4.19 · -4.19±0.29(Predicted)
Farbe: White to Gray to Brown
InChI: 1S/C4HCl2IN2/c5-3-2(7)1-8-4(6)9-3/h1H
InChIKey: RGJNPJRAXMSHKN-UHFFFAOYSA-N
SMILES: Clc1ncc(I)c(Cl)n1
CAS Datenbank: 13544 · 13544-44-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (90.7%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 29335990
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3