Basic information
- 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 properties
- 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
- color
- Clear colorless to slightly yellow
- Specific Gravity
- 1.11 · 1.110
- Specific Heat Capacity
- 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 DataBase Reference
- 540 · 540-36-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 FQ2EF0Z6 · Y9FQ2EF0Z6
- NIST Chemistry Reference
- 1 · Benzene, 1,4-difluoro-(540-36-3)
- EPA Substance Registry System
- 1 · 1,4-Difluorobenzene (540-36-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 333 · H333-H225
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P304+P312-P303+P361+P353-P403+P235
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xn,T
- Risk Statements
- 11 · 11-20-39/23/24/25-23/24/25
- Safety Statements
- 16 · 16-29-33-7-45-36/37-7/9
- RIDADR
- 1993 · UN 1993 3/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 5658000 · CZ5658000
- Hazard Note
- Highly Flammable
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29036990 · 29036990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 · Flam. Liq. 2
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
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
- Symbol(GHS)
- GHS02
- hazard_code
- F,Xn,T
- hazard_note
- Highly Flammable
- safety_code
- 16-29-33-7-45-36/37-7/9
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H333-H225
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Flam. Liq. 2
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P304+P312-P303+P361+P353-P403+P235
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
Suppliers50 total
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Additional notes
DefinitionChEBI: 1,4-difluorobenzene is a difluorobenzene.
Related reactions
46 records
Linked notes
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