Grundinformationen
- Standard-SMILES
Cc1ccc(F)cc1F- InChIKey
MPXDAIBTYWGBSL-UHFFFAOYSA-N- Summenformel
- C7H6F2
- Durchschnittliche Molmasse
- 128,12 g/mol
- Monoisotopische Masse
- 128,04375663
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Difluoro-1-methylbenzene
- IUPAC
- 2,4-difluoro-1-methylbenzene
- Lokaler Name
- 2,4-Difluortoluol
- Englischer Name
- 2,4-Difluorotoluene
- Summenformel
- C7H6F2
- Molmasse
- 128.12
Namen und Synonyme
2,4-Difluorotoluene452-76-62,4-Difluoro-1-methylbenzeneDifluorotolueneRMK2YU8CT4NSC-3465DTXSID701964292F-tolueneRefChem:82431DTXCID30118920207-211-9Benzene, 2,4-difluoro-1-methyl-
Weitere Namen anzeigen
2,4-Difluorobenzyl2,4-DIFLUOROTOLUNE2,4-DIFLUOROTOLUINE2,4-Difluorotoluene99%2,4-Difluorotoluene 99%2,4-Difluorotoluene, 98+%2.4-Difluoro methyl benzene1-Methyl-2,4-difluorobenzene
2,4-difluoro-tolueneMFCD000003322,4-DIFLUORO-1-METHYL-BENZENEEINECS 207-211-9UNII-RMK2YU8CT4SCHEMBL60954SCHEMBL96362SCHEMBL99060
Datenbank-Bezeichner
- CAS
452-76-6- PubChem CID
- 67983
- DTXSID
DTXSID70196429- UNII
- RMK2YU8CT4
- EC Number
- 207-211-9
- Nikkaji
- J150.023F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 92,9
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesHindering potential
Physical DescriptionColorless liquid with an aromatic odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -35 °C · -35 °C
- Siedepunkt
- 113 · 113-117 °C (lit.)
- Dichte
- 1.12 g/mL · 1.12 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.449(lit.)
- Flammpunkt
- 59 °F · 59 °F
- storage temp.
- 2 · Sealed in dry,2-8°C
- Aggregatzustand
- Liquid
- Wichte
- 1.12 · 1.120
- Farbe
- Clear colorless
- BRN
- 1931681 · 1931681
- InChI
- InChI=1S/C7H6F2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
- InChIKey
- MPXDAIBTYWGBSL-UHFFFAOYSA-N
- SMILES
- C1(C)=CC=C(F)C=C1F
- CAS Datenbank
- 452 · 452-76-6(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2,4-Difluorotoluene(452-76-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationBenzene, 2,4-difluoro-1-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryHighly flammable; A skin and strong eye irritant; [Alfa Aesar MSDS] See Toluene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29039990
- risk_code
- 11
- hazard_code
- F,F+
- hazard_note
- Flammable
- safety_code
- 16-29-33
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 2
Chemie und Industrie
Anwendungen
Verwenden2,4-Difluorotoluene was used in the synthesis of new hydrophobic isosteres of pyrimidines and purine nucleosides.
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