Basic information
- CAS
344-04-7- Standard SMILES
Fc1c(F)c(F)c(Br)c(F)c1F- InChIKey
XEKTVXADUPBFOA-UHFFFAOYSA-N- Molecular formula
- C6BrF5
- Average molar mass
- 246.96 g/mol
- Monoisotopic mass
- 245.9103532
Names & identifiers
- Preferred name
- Bromopentafluorobenzene
- IUPAC
- 1-bromo-2,3,4,5,6-pentafluorobenzene
- English name
- Bromopentafluorobenzene
- Molecular formula
- C6BrF5
- Molecular weight
- 246.96
Names & synonyms
BROMOPENTAFLUOROBENZENE1-Bromo-2,3,4,5,6-pentafluorobenzenePentafluorobromobenzeneBromoperfluorobenzeneBenzene, bromopentafluoro-Pentafluorophenyl bromidebenzene, 1-bromo-2,3,4,5,6-pentafluoro-DTXSID3047136UNII-S88219080SEINECS 206-449-0NSC 21630NSC-21630
Show more names
2,3,4,5,6-PENTAFLUOROBROMOBENZENE2,3,4,5,6-pentafluoro-1-bromobenzeneBromopentafLpentafluroanilineBromopentafluorobenzFivefluorine broMine
S88219080SDTXCID1027136Benzene, bromopentafluoroRefChem:121613Benzene, 1bromo2,3,4,5,6pentafluoro206-449-0InChI=1/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)XEKTVXADUPBFOA-UHFFFAOYSA-N
Database identifiers
- CAS
344-04-7- PubChem CID
- 9578
- DTXSID
DTXSID3047136- ChEMBL
CHEMBL1231233- UNII
- S88219080S
- EC Number
- 206-449-0
- Nikkaji
- J30B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionColorless liquid; [MSDSonline]
Physicochemical properties
- Melting point
- -31 °C · -31 °C (lit.)
- Boiling point
- 137 °C · 137 °C (lit.)
- Density
- 1.981 g/mL · 1.981 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.449(lit.)
- Flash point
- 190 °F · 190 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Liquid
- color
- Clear colorless to very faintly colored
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CY9040552
- hs_code
- 29036990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-bromo-2,3,4,5,6-pentafluoro-: ACTIVE
Applications
UsesIt is used as pharmaceutical intermediate. It is a Grignard reagent (with CuBr in dioxane) can introduce pentafluorophenyl groups.
UsesBromopentafluorobenzene is a polyfluorinated chemical that is widely distributed in the environment and released because of its use in different household and industrial products. Bromopentafluorobenzene is also used in the synthesis of phenylproparginols which have herbicidal activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
34 records
Compound notes
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