1,4-Difluorobenzene
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Basic information
- CAS
540-36-3- Standard SMILES
Fc1ccc(F)cc1- InChIKey
QUGUFLJIAFISSW-UHFFFAOYSA-N- Molecular formula
- C6H4F2
- Average molar mass
- 114.09 g/mol
- Monoisotopic mass
- 114.02810657
Overview
1,4-difluorobenzene is a difluorobenzene.
Names & identifiers
- Preferred name
- 1,4-Difluorobenzene
- IUPAC
- 1,4-difluorobenzene
- English name
- 1,4-Difluorobenzene
- Molecular formula
- C6H4F2
- Molecular weight
- 114.09
Names & synonyms
1,4-DIFLUOROBENZENEp-Difluorobenzene2,5-difluorobenzene1,4-DifluorbenzolUNII-Y9FQ2EF0Z6EINECS 208-742-9Y9FQ2EF0Z6NSC 10286NSC-10286P-DIFLUOROBENZENE [MI]DTXSID1075432CHEBI:38585
Show more names
48944p-DFB1,4-DifL1.4-DifluorobeFor fluorobenzenep-difluoro-benzen4-Difluorobenzene1,4-Fluorobenzene
QUGUFLJIAFISSW-UHFFFAOYSA-pDifluorobenzeneparaDifluorobenzeneBenzene, pdifluoroBenzene, 1,4difluoroRefChem:73253Benzene, 1,4difluoro (9CI)DTXCID0041563
Database identifiers
- CAS
540-36-3- PubChem CID
- 10892
- DTXSID
DTXSID1075432- ChEMBL
CHEMBL496192- ChEBI
CHEBI:38585- UNII
- Y9FQ2EF0Z6
- EC Number
- 208-742-9
- Nikkaji
- J43.474D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 54.9
Experimental & physicochemical properties
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]
Physicochemical properties
- Melting point
- -13 °C · -13 °C (lit.)
- Boiling point
- 88 · 88-89 °C (lit.)
- Density
- 1.11 g/mL · 1.11 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.441(lit.)
- Flash point
- 36 °F · 36 °F
- storage temp.
- room temp
- solubility
- 1.2 g/l · 1.2g/l
- form
- Liquid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
Hazards SummaryAn irritant; [MSDSonline] See p-Dichlorobenzene.
Hazard Classes and CategoriesFlam. Liq. 1 (69.8%)
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLC50 (mice) = 55,000 mg/m3/2h
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- CZ5658000
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29036990
- risk_code
- 11-20-39/23/24/25-23/24/25
- Signal word
- Danger
Chemistry & industry
Uses & manufacturing
UsesMono- and difluoroaromatic compounds are used in indicators and analytical reagents; [Ullmann]
Applications
Uses1,4-Difluorobenzene is used in method for production of prepolymers containing Polyoxymethylene block.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
46 records
Compound notes
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