Grundinformationen
- Standard-SMILES
Nc1cccc2c1OC(F)(F)O2- InChIKey
RXIKYXZKSIARLN-UHFFFAOYSA-N- Summenformel
- C7H5F2NO2
- Durchschnittliche Molmasse
- 173,12 g/mol
- Monoisotopische Masse
- 173,02883484
Namen und Bezeichner
- Bevorzugter Name
- 2,2-Difluoro-1,3-dioxaindan-4-amine
- IUPAC
- 2,2-difluoro-1,3-benzodioxol-4-amine
- Englischer Name
- 4-Amino-2,2-difluoro-1,3-benzodioxole
- Summenformel
- C7H5F2NO2
- Molmasse
- 173.12
Namen und Synonyme
2,2-difluoro-1,3-dioxaindan-4-amineRefChem:440942641-149-74-AMINO-2,2-DIFLUORO-1,3-BENZODIOXOLE106876-54-42,2-difluoro-1,3-benzodioxol-4-amineMFCD007924162,2-difluorobenzo[d][1,3]dioxol-4-amine2,3-(Difluoromethylenedioxy)anilineDTXSID603716822,2-DIFLUORO-4-AMINO-1,3-BENZODIOXOLEAKOS006229603
Weitere Namen anzeigen
2,2-DIFLUORO-4-AMINOBENZODIOXOLE1,3-Benzodioxol-4-aMine, 2,2-difluoro-2,2-difluoro-1,3-benzodioxol-4-ylamine4-Amino-2,2-difluoro-1,3-benzodioxole98%
CS-W017560DS-120454-Amino-2,2-difluoro-benzo(1.3)dioxole2,2-DIFLUORO-2H-1,3-BENZODIOXOL-4-AMINE4-AMINO-2,2-DIFLUOROBENZODIOXOLEFT-06092322,2-DIFLUORO-BENZO[1,3]DIOXOL-4-YLAMINESCHEMBL334653
Datenbank-Bezeichner
- CAS
106876-54-4- PubChem CID
- 2736891
- DTXSID
DTXSID60371682- EC Number
- 641-149-7
- Nikkaji
- J1.878.335E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 44,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 188
Physikochemische Eigenschaften
- Siedepunkt
- 201 · 201.0±40.0 °C(Predicted)
- Dichte
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 3.26 · 3.26±0.40(Predicted)
- Wasserlöslichkeit
- Not miscible or difficult to mix in water.
- CAS Datenbank
- 106876 · 106876-54-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H227 (16.7%): Combustible liquid [Warning Flammable liquids]
P210, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 4 (16.7%)
Sicherheitsdaten
- ridadr
- 2810
- hs_code
- 2932990090
- risk_code
- 20/21/22-36/37/38
- hazard_code
- T
- hazard_note
- Toxic
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
Chemie und Industrie
Anwendungen
Verwenden4-Amino-2,2-difluoro-1,3-benzodioxole is used in organic synthesis.
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