2-Amino-5-iodo-3-nitropyridine

HCID 3384468CAS 25391-57-5

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Grundinformationen

Standard-SMILES: Nc1ncc(I)cc1[N+](=O)[O-]
InChIKey: MDJUWRHSXKZSOJ-UHFFFAOYSA-N
Summenformel: C5H4IN3O2
Durchschnittliche Molmasse: 265,01 g/mol
Monoisotopische Masse: 264,93482

Namen und Bezeichner

Bevorzugter Name: 2-Amino-5-iodo-3-nitropyridine
IUPAC: 5-iodo-3-nitropyridin-2-amine
Englischer Name: 2-AMINO-5-IODO-3-NITROPYRIDINE
Summenformel: C5H4IN3O2
Molmasse: 265.01

Namen und Synonyme

25391-57-52-Amino-5-iodo-3-nitropyridineDTXSID10391991RefChem:464616DTXCID60342852626-879-65-iodo-3-nitropyridin-2-amineMFCD040384645-iodo-3-nitro-pyridin-2-amine2-Pyridinamine, 5-iodo-3-nitro-5-Iodo-3-nitro-2-aminopyridineSCHEMBL1601280

Weitere Namen anzeigen

Zinc042029185-iodo-3-nitro-2-pyridinamine2-PYRIDINAMINE,5-IODO-3-NITRO2-Amino-3-nitro-5-iodopyridine5-IODO-3-NITRO-PYRIDIN-2-YLAMINE2-Amino-5-iodo-3-nitropyridine 95+%2-AMINO-5-IODO-3-NITROPYRIDINE ISO 9001：2015 REACH

5-iodo-3-nitro-2-pyridylamineSBB065277AKOS005257300PB233792-Amino-5-iodo-3-nitropyridine, 97%DS-12470SY041319DB-046691

Datenbank-Bezeichner

CAS: 25391-57-5
PubChem CID: 3384468
DTXSID: DTXSID10391991
EC Number: 626-879-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 84,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 215 · 215-219 °C (lit.)
Siedepunkt: 365.4 · 365.4±42.0 °C(Predicted)
Dichte: 2.229 · 2.229±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: solid
pka: 0.41 · 0.41±0.49(Predicted)
InChI: 1S/C5H4IN3O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H,(H2,7,8)
InChIKey: MDJUWRHSXKZSOJ-UHFFFAOYSA-N
SMILES: Nc1ncc(I)cc1[N+]([O-])=O
CAS Datenbank: 25391 · 25391-57-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): 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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
risk_code: 22-36/37/38-43
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3