1,3-Dibromotetrafluorobenzene
Basic information
- CAS
1559-87-1- Standard SMILES
Fc1c(F)c(Br)c(F)c(Br)c1F- InChIKey
UCWKDDQEZQRGDR-UHFFFAOYSA-N- Molecular formula
- C6Br2F4
- Average molar mass
- 307.87 g/mol
- Monoisotopic mass
- 305.83029
Names & identifiers
- Preferred name
- 1,3-Dibromotetrafluorobenzene
- IUPAC
- 1,3-dibromo-2,4,5,6-tetrafluorobenzene
- English name
- 1,3-Dibromotetrafluorobenzene
- Molecular formula
- C6Br2F4
- Molecular weight
- 307.87
Names & synonyms
1,3-Dibromotetrafluorobenzene1559-87-11,3-Dibromo-2,4,5,6-tetrafluorobenzenedibromotetrafluorobenzeneEINECS 216-326-3DTXSID90935317NSC 96999RefChem:414279DTXCID201363950216-326-3BENZENE, 1,3-DIBROMO-2,4,5,6-TETRAFLUORO-Benzene, 1,3-dibromotetrafluoro-
Show more names
1,3-Dibromotetrafluorobenzene >1,3-Dibromotetrafluorobenzene, 98+%1,3-Dibromotetrafluorobenzene - [D94402]1,3-DIBROMOTETRAFLUOROBENZENE ISO 9001：2015 REACH1,3-Dibromo-2,4,5,6-tetrafluorobenzene, Perfluoro-1,3-dibromobenzene
MFCD00031533Benzene,3-dibromotetrafluoro-UCWKDDQEZQRGDR-UHFFFAOY1,3-Dibromotetrafluorobenzene, 96%AKOS0079302654,6-dibromo-1,2,3,5-tetrafluorobenzeneBenzene,3-dibromo-2,4,5,6-tetrafluoro-1,3-Dibromo-2,4,5,6-tetrafluorobenzene #
Database identifiers
- CAS
1559-87-1、27516-63-8- PubChem CID
- 73793
- DTXSID
DTXSID90935317- EC Number
- 216-326-3
- Nikkaji
- J104.193B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
Physical DescriptionColorless liquid; [Aldrich MSDS]
Physicochemical properties
- Melting point
- 5 · 5-7 °C
- Boiling point
- 200 °C · 200 °C (lit.)
- Density
- 2.18 g/mL · 2.18 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.516(lit.)
- Flash point
- 198 °F · 198 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- Specific Gravity
- 2.18 · 2.18
- color
- Clear colorless to light yellow
- InChI
- 1S/C6Br2F4/c7-1-3(9)2(8)5(11)6(12)4(1)10
- InChIKey
- UCWKDDQEZQRGDR-UHFFFAOYSA-N
- SMILES
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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29036990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses1,3-Dibromotetrafluorobenzene was used to prepare starting compounds for the synthesis of fluorinated liquid crystal derivatives. It was also used in the synthesis of halogen bonded adducts by undergoing In situ cryocrystallization with various oxygenated solvents.
General Description1,3-Dibromotetrafluorobenzene is a colorless liquid. 1,3-Dibromotetrafluorobenzene crystallizes with 4,4′-dipyridyl to form the noncovalent copolymers.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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