2-Amino-5-iodopyrimidine

HCID 241102

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Grundinformationen

CAS: 1445-39-2
Standard-SMILES: Nc1ncc(I)cn1
InChIKey: HAFKCGZQRIIADX-UHFFFAOYSA-N
Summenformel: C4H4IN3
Durchschnittliche Molmasse: 221 g/mol
Monoisotopische Masse: 220,94499

Namen und Bezeichner

Bevorzugter Name: 2-Amino-5-iodopyrimidine
IUPAC: 5-iodopyrimidin-2-amine
Englischer Name: 2-Amino-5-iodopyrimidine
Summenformel: C4H4IN3
Molmasse: 221

Namen und Synonyme

2-Amino-5-iodopyrimidineDTXSID00286903RefChem:464620DTXCID30238051625-750-11445-39-25-iodopyrimidin-2-amine2-Amino-5-iodo-pyrimidine2-Pyrimidinamine, 5-iodo-MFCD010756665-iodopyrimidine-2-ylamine5-iodo-2-pyrimidinamine

Weitere Namen anzeigen

2-PyriMidinaMine,5-iodo-2-Amino-5-iodopyrimidine,97%2-Amino-5-Iodopyrimidine 98%2-AMINO-5-IODOPYRIMIDINE ISO 9001：2015 REACH5-Iodopyrimidin-2-amine, 2-Amino-5-iodo-1,3-diazine

5-Iodo-pyrimidin-2-ylamineNSC482245-iodo-2-aminopyrimidineSCHEMBL724513pyrimidine, 2-amino-5-iodo-2-Amino-5-iodopyrimidine, 97%NSC 48224NSC-48224

Datenbank-Bezeichner

CAS: 1445-39-2
PubChem CID: 241102
DTXSID: DTXSID00286903
EC Number: 625-750-1
Nikkaji: J1.237.176D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 69

Physikochemische Eigenschaften

Schmelzpunkt: 219 °C · 219 °C
Siedepunkt: 364.9 · 364.9±34.0 °C(Predicted)
Dichte: 2.204 · 2.204±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder
pka: 2.08 · 2.08±0.10(Predicted)
InChI: InChI=1S/C4H4IN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
InChIKey: HAFKCGZQRIIADX-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(I)C=N1
CAS Datenbank: 1445 · 1445-39-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, P305+P354+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 45 reports by companies from 5 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.