Grundinformationen
- Standard-SMILES
O=[N+]([O-])c1ccccc1I- InChIKey
JXMZUNPWVXQADG-UHFFFAOYSA-N- Summenformel
- C6H4INO2
- Durchschnittliche Molmasse
- 249,01 g/mol
- Monoisotopische Masse
- 248,92868
Namen und Bezeichner
- Bevorzugter Name
- o-Iodonitrobenzene
- IUPAC
- 1-iodo-2-nitrobenzene
- Lokaler Name
- 1-Iod-2-nitrobenzol
- Englischer Name
- 1-Iodo-2-nitrobenzene
- Summenformel
- C6H4INO2
- Molmasse
- 249.01
Namen und Synonyme
o-IodonitrobenzeneRefChem:5624911-Iodo-2-nitrobenzene609-73-42-Iodonitrobenzene2-Nitroiodobenzeneo-NitroiodobenzeneBenzene, 1-iodo-2-nitro-iodonitrobenzene2-iodo-1-nitrobenzene1-iodo-2-nitro-benzene1-nitro-2-iodobenzene
Weitere Namen anzeigen
2-Iononitrobenzene2-NITRO IODO BENZENE2-Nitrophenyl iodide1-iodo-2-nitro-benzen(2-Nitrophenyl) iodide
MFCD00007088NSC-97932-nitro-1-iodobenzeneNSC9793NSC 97932-iodo-nitrobenzene2-nitro-iodobenzeneEINECS 210-200-1
Datenbank-Bezeichner
- CAS
609-73-4- PubChem CID
- 69115
- DTXSID
DTXSID9060574- UNII
- 5D7NBA9LSJ
- EC Number
- 210-200-1
- Nikkaji
- J96.179E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 45,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 134
Experimentelle und physikochemische Eigenschaften
Physical DescriptionYellow powder; [Alfa Aesar MSDS]
Kovats Retention Index1457.8
Physikochemische Eigenschaften
- Schmelzpunkt
- 49 · 49-51 °C(lit.)
- Siedepunkt
- 288 · 288-289 °C(lit.)
- Dichte
- 1.9186 · 1.9186
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Refrigerator (+4°C)
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- Granular Powder
- Farbe
- Yellow-green to yellow-brown
- Wasserlöslichkeit
- insoluble
- BRN
- 2044110 · 2044110
- Stabilität
- Stable. Incompatible with strong bases, strong oxidizing agents.
- InChI
- 1S/C6H4INO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
- InChIKey
- JXMZUNPWVXQADG-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccccc1I
- CAS Datenbank
- 609 · 609-73-4(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1-iodo-2-nitro-(609-73-4)
- EPA chemische Informationen
- 1 · Benzene, 1-iodo-2-nitro- (609-73-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (95.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (95.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.8%): 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 48 reports by companies from 7 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
Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; Toxic by ingestion and skin absorption; Harmful by inhalation; [Alfa Aesar MSDS] See 2-Bromonitrobenzene.
Hazard Classes and CategoriesAcute Tox. 4 (95.8%)；Acute Tox. 4 (95.8%)；Skin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；Acute Tox. 4 (95.8%)；STOT SE 3 (95.8%)
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
- 2811
- hs_code
- 29049090
- risk_code
- 20/21/22-36/37/38-36-33
- hazard_code
- Xn,Xi
- safety_code
- 26-36-36/37/39
- hazard_class
- IRRITANT
- 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-2-nitro-: ACTIVE
Anwendungen
Verwenden1-Iodo-2-nitrobenzene is used as a reagent in the synthesis of 2'',4-Bis(aminophenyl)methane (B405515); an analog of 4,4''-Methylenedianiline (M304180) used in the manufacturing of resin enamel coating materials for copper wires.
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陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
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