Phenol, 4-iodo-2-nitro-

HCID 179373

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Grundinformationen

CAS: 21784-73-6
Standard-SMILES: O=[N+]([O-])c1cc(I)ccc1O
InChIKey: RHWDEIXKHGCDOG-UHFFFAOYSA-N
Summenformel: C6H4INO3
Durchschnittliche Molmasse: 265,01 g/mol
Monoisotopische Masse: 264,92359

Namen und Bezeichner

Bevorzugter Name: Phenol, 4-iodo-2-nitro-
IUPAC: 4-iodo-2-nitrophenol
Englischer Name: 4-Iodo-2-nitrophenol
Summenformel: C6H4INO3
Molmasse: 265.01

Namen und Synonyme

4-iodo-2-nitrophenol21784-73-6Phenol, 4-iodo-2-nitro-DTXSID10176189RefChem:861270DTXCID5098680812-832-9MFCD00466297C6H4INO34-iodo-2-nitro-phenol4-iodonitrophenol2-nitro-4-iodophenol

Weitere Namen anzeigen

4-Hydroxy-3-nitroiodobenzeneSCHEMBL4700495SCHEMBL19113276RHWDEIXKHGCDOG-UHFFFAOYSA-NAKOS022172354FI70085s10840AS-19189

Datenbank-Bezeichner

CAS: 21784-73-6
PubChem CID: 179373
DTXSID: DTXSID10176189
EC Number: 812-832-9
Nikkaji: J801.830H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 66,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 158

Physikochemische Eigenschaften

Schmelzpunkt: 80 · 80-81 °C
Siedepunkt: 296.4 · 296.4±25.0 °C(Predicted)
Dichte: 2.176 · 2.176±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 6.26 · 6.26±0.14(Predicted)
Aggregatzustand: solid
Farbe: Yellow-green
InChI: InChI=1S/C6H4INO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H
InChIKey: RHWDEIXKHGCDOG-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(I)C=C1[N+]([O-])=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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 3 reports by companies from 3 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%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)