Grundinformationen
- Standard-SMILES
Fc1ccc(F)cc1- InChIKey
QUGUFLJIAFISSW-UHFFFAOYSA-N- Summenformel
- C6H4F2
- Durchschnittliche Molmasse
- 114,09 g/mol
- Monoisotopische Masse
- 114,02810657
Überblick
1,4-difluorobenzene is a difluorobenzene.
Namen und Bezeichner
- Bevorzugter Name
- 1,4-Difluorobenzene
- IUPAC
- 1,4-difluorobenzene
- Lokaler Name
- 1,4-Difluorbenzol
- Englischer Name
- 1,4-Difluorobenzene
- Summenformel
- C6H4F2
- Molmasse
- 114.09
Namen und Synonyme
1,4-DIFLUOROBENZENEp-Difluorobenzene2,5-difluorobenzene1,4-DifluorbenzolUNII-Y9FQ2EF0Z6EINECS 208-742-9Y9FQ2EF0Z6NSC 10286NSC-10286P-DIFLUOROBENZENE [MI]DTXSID1075432CHEBI:38585
Weitere Namen anzeigen
48944p-DFB1,4-DifL1.4-DifluorobeFor fluorobenzenep-difluoro-benzen4-Difluorobenzene1,4-Fluorobenzene
QUGUFLJIAFISSW-UHFFFAOYSA-pDifluorobenzeneparaDifluorobenzeneBenzene, pdifluoroBenzene, 1,4difluoroRefChem:73253Benzene, 1,4difluoro (9CI)DTXCID0041563
Datenbank-Bezeichner
- CAS
540-36-3- PubChem CID
- 10892
- DTXSID
DTXSID1075432- ChEMBL
CHEMBL496192- ChEBI
CHEBI:38585- UNII
- Y9FQ2EF0Z6
- EC Number
- 208-742-9
- Nikkaji
- J43.474D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 54,9
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.26
Physical DescriptionLiquid with a pungent aromatic odor; [Merck Index] Colorless liquid; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- -13 °C · -13 °C (lit.)
- Siedepunkt
- 88 · 88-89 °C (lit.)
- Dichte
- 1.11 g/mL · 1.11 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.441(lit.)
- Flammpunkt
- 36 °F · 36 °F
- storage temp.
- room temp
- Löslichkeit
- 1.2 g/l · 1.2g/l
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to slightly yellow
- Wichte
- 1.11 · 1.110
- Spezifische Wärmekapazität
- 1.38 J/ · Cp(liquid): 1.38 J/(g·K), at 25℃
- Merck
- 14 · 14,3148
- BRN
- 1904541 · 1904541
- Henry's Law Constant
- 1.6 · 1.6×10-3 mol/(m3Pa) at 25℃, Hiatt (2013)
- Dielectric constant
- 2.26 · 2.2599999999999998
- Major Application
- environmental
- InChI
- 1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H
- InChIKey
- QUGUFLJIAFISSW-UHFFFAOYSA-N
- SMILES
- Fc1ccc(F)cc1
- CAS Datenbank
- 540 · 540-36-3(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1,4-difluoro-(540-36-3)
- EPA chemische Informationen
- 1 · 1,4-Difluorobenzene (540-36-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.9% (1 of 53) of reports.
Danger
H224 (69.8%): Extremely flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards SummaryAn irritant; [MSDSonline] See p-Dichlorobenzene.
Hazard Classes and CategoriesFlam. Liq. 1 (69.8%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLC50 (mice) = 55,000 mg/m3/2h
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29036990
- RTECS-Nr.
- CZ5658000
- risk_code
- 11-20-39/23/24/25-23/24/25
- hazard_code
- F,Xn,T
- hazard_note
- Highly Flammable
- safety_code
- 16-29-33-7-45-36/37-7/9
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 2
Chemie und Industrie
Verwendung und Herstellung
UsesMono- and difluoroaromatic compounds are used in indicators and analytical reagents; [Ullmann]
Anwendungen
Verwenden1,4-Difluorobenzene is used in method for production of prepolymers containing Polyoxymethylene block.
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