1-Iod-4-nitrobenzol

1-Iodo-4-nitrobenzene

HCID 12495CAS 636-98-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=[N+]([O-])c1ccc(I)cc1
InChIKey: SCCCFNJTCDSLCY-UHFFFAOYSA-N
Summenformel: C6H4INO2
Durchschnittliche Molmasse: 249,01 g/mol
Monoisotopische Masse: 248,92867637

Namen und Bezeichner

Bevorzugter Name: 1-Iodo-4-nitrobenzene
IUPAC: 1-iodo-4-nitrobenzene
Lokaler Name: 1-Iod-4-nitrobenzol
Englischer Name: 1-Iodo-4-nitrobenzene
Summenformel: C6H4INO2
Molmasse: 249.01

Namen und Synonyme

1-Iodo-4-nitrobenzene4-IODONITROBENZENEBenzene, 1-iodo-4-nitro-NSC 9794EINECS 211-272-7AI3-08878DTXSID7060914pIodonitrobenzenepNitroiodobenzene4Iodonitrobenzene4NitroiodobenzenepNitrophenyl iodide

Weitere Namen anzeigen

P-NITROIODOBENZENE4-Nitroiodobenzene1-lodo-4-nitrobenzeneAURORA KA-6698IODONITROBENZENEp-Nitrophenyl iodide4-NITRO-1-IODOBENZENE

Benzene, 1iodo4nitroRefChem:76091DTXCID1044019211-272-7InChI=1/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4SCCCFNJTCDSLCY-UHFFFAOYSA-N636-98-6p-Iodonitrobenzene

Datenbank-Bezeichner

CAS: 636-98-6
PubChem CID: 12495
DTXSID: DTXSID7060914
UNII: NH3N3MPW9D
EC Number: 211-272-7
Nikkaji: J47.124K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 126

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionYellow powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 171 · 171-173 °C(lit.)
Siedepunkt: 289 °C772 · 289 °C772 mm Hg(lit.)
Dichte: 1.809 · 1.8090
Flammpunkt: 100 °C · 100 °C
storage temp.: Keep Cold
Aggregatzustand: Powder
Farbe: Brownish
Wasserlöslichkeit: insoluble
BRN: 1100378 · 1100378
Stabilität: Stable. Incompatible with strong bases, strong oxidizing agents.
InChI: InChI=1S/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChIKey: SCCCFNJTCDSLCY-UHFFFAOYSA-N
SMILES: C1(I)=CC=C([N+]([O-])=O)C=C1
CAS Datenbank: 636 · 636-98-6(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1-iodo-4-nitro-(636-98-6)
EPA chemische Informationen: 1 · Benzene, 1-iodo-4-nitro- (636-98-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; Harmful by inhalation; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See 1-Iodo-2-nitrobenzene. See 1-Bromo-4-nitrobenzene.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Toxikologische Informationen

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 2
hs_code: 29049090
risk_code: 20/21/22-36/37/38-36-33
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-37/39-36/37/39-36
hazard_class: IRRITANT, KEEP COLD, LIGHT SENSITIVE
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1-iodo-4-nitro-: ACTIVE

Anwendungen

Verwenden1-Iodo-4-nitrobenzene is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.