Grundinformationen
- Standard-SMILES
O=[N+]([O-])c1ccc(F)c(F)c1- InChIKey
RUBQQRMAWLSCCJ-UHFFFAOYSA-N- Summenformel
- C6H3F2NO2
- Durchschnittliche Molmasse
- 159,09 g/mol
- Monoisotopische Masse
- 159,01318466
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Difluoro-4-nitrobenzene
- IUPAC
- 1,2-difluoro-4-nitrobenzene
- Lokaler Name
- 1,2-Difluor-4-nitrobenzol
- Englischer Name
- 3,4-Difluoronitrobenzene
- Summenformel
- C6H3F2NO2
- Molmasse
- 159.09
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
369-34-6- PubChem CID
- 123053
- DTXSID
DTXSID00190379- UNII
- B3RMA758VG
- EC Number
- 206-718-2
- Nikkaji
- J135.066H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 45,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 159
Physikochemische Eigenschaften
- Schmelzpunkt
- -12 C · -12C
- Siedepunkt
- 76 · 76-80 °C/11 mmHg (lit.)
- Dichte
- 1.437 g/mL · 1.437 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.509(lit.)
- Flammpunkt
- 177 °F · 177 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform, Methanol
- Aggregatzustand
- Liquid
- Wichte
- 1.437 · 1.437
- Farbe
- Clear yellow
- Wasserlöslichkeit
- insoluble
- BRN
- 1944996 · 1944996
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
- InChI
- 1S/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
- InChIKey
- RUBQQRMAWLSCCJ-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1ccc(F)c(F)c1
- CAS Datenbank
- 369 · 369-34-6(CAS DataBase Reference)
- NIST chemische Informationen
- 3 · 3,4-Difluoronitrobenzene(369-34-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (12.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (12.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (10.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, 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 47 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
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29049090
- RTECS-Nr.
- CZ5710000
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-36
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden3,4-Difluoronitrobenzene was used in the preparation of xanthones and acridones.
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