1-Iod-3-nitrobenzol

1-iodo-3-nitro-benzen · Iodo-3-nitrobenz · 3-Nitroiodobenzene · M-NITROIODOBENZENE · M-IODONITROBENZENE · 3-IODONITROBENZENE · m-Nitrophenyliodide · 3-Nitrophenyl iodide

https://huagongshe.com/de/chemical/12574

Identifikatoren & physikalische Daten

CAS No.	645-00-1
Summenformel	C6H4INO2
Durchschnittliche Molmasse	249,01 g/mol
Monoisotopische Masse	248,92867637 g/mol
SMILES	O=[N+]([O-])c1cccc(I)c1
InChIKey	CBYAZOKPJYBCHE-UHFFFAOYSA-N
PubChem CID	12574
ChEMBL	CHEMBL115511
ChEBI	CHEBI:67123
EC No.	211-427-9
DTXSID	DTXSID5025449
Lokaler Name	1-Iod-3-nitrobenzol

Chemische & physikalische Eigenschaften

XLogP	2,9
Polarare Oberfläche (TPSA)	45,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	134
Stoffklassen	Nitrogen Compounds -> Nitros, Aromatic
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
Dichte	1.9477 at 122 °F (NTP, 1992) - Denser than waterwill sink
Löslichkeit	less than 1 mg/mL at 66 °F (NTP, 1992)insoluble
Flammpunkt	161 °F (NTP, 1992)
Siedepunkt	536 °F at 760 mmHg (NTP, 1992)280 °C (lit.)
Schmelzpunkt	97 to 100 °F (NTP, 1992)36-38 °C (lit.)
Dampfdruck	0.00174 [mmHg]
Physical Description	Monoclinic prisms or tan solid. (NTP, 1992)Prisms or tan solidmp = 36-38 deg C[CAMEO]
Lagerbedingungen	Refrigerator (+4°C) + Flammables area
Aggregatzustand	powder to lump to clear liquid
Farbe	Light yellow to Yellow
BRN	1525167
Stabilität	Stable. Highly flammable. Incompatible with strong bases, strong oxidizing agents.
InChI	1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
InChIKey	CBYAZOKPJYBCHE-UHFFFAOYSA-N
SMILES	[O-][N+](=O)c1cccc(I)c1
CAS Datenbank	645-00-1(CAS DataBase Reference)
NIST chemische Informationen	m-Iodonitrobenzene(645-00-1)
EPA chemische Informationen	m-Iodonitrobenzene (645-00-1)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH228 (89.1%): Flammable solid [Danger Flammable solids]P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
DOT-Kennzeichnung	Flammable Solid
Brandgefahren	This chemical is combustible. (NTP, 1992)
Gesundheitsgefahren	SYMPTOMS: Symptoms of exposure to this compound include irritation of the skin and eyes, methemoglobinemia and cyanosis.
Gefahrenübersicht	A skin and eye irritantMay induce methemoglobinemia[NTP] A skin and strong eye irritantHarmful by ingestion and skin absorptionToxic by inhalation[Sigma-Aldrich MSDS] See m-Nitrochlorobenzene.
Reaktive Gruppe	Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile	1-IODO-3-NITROBENZENE is incompatible with strong bases and strong oxidizers. (NTP, 1992)
Air and Water Reactions	Insoluble in water.
Hazard Classes and Categories	Flam. Sol. 1 (89.1%)
Brandbekämpfung	Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
Erste Hilfe	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Anwendungen & Verwendung

Verwenden

1-Iodo-3-nitrobenzene was used in the synthesis of 5-substituted pyrrolo[3,2-b]pyridine amide and 3′-nitro-4-methylthiobiphenyl. It was used in palladium(0) catalyzed cross-coupling reaction between heteroarylzinc iodide and unsaturated iodide.