Basic information
- CAS
160976-02-3- Standard SMILES
Fc1cc(Br)cc(F)c1I- InChIKey
NLWAKVGODLJALJ-UHFFFAOYSA-N- Molecular formula
- C6H2BrF2I
- Average molar mass
- 318.88 g/mol
- Monoisotopic mass
- 317.8352666
Names & identifiers
- Preferred name
- 5-Bromo-1,3-difluoro-2-iodobenzene
- IUPAC
- 5-bromo-1,3-difluoro-2-iodobenzene
- English name
- 4-Bromo-2,6-difluoroiodobenzene
- Molecular formula
- C6H2BrF2I
- Molecular weight
- 318.89
Names & synonyms
5-Bromo-1,3-difluoro-2-iodobenzeneRefChem:532702678-230-1160976-02-34-bromo-2,6-difluoroiodobenzene2,6-difluoro-4-bromoiodobenzene1-Bromo-3,5-difluoro-4-iodobenzeneBenzene, 5-bromo-1,3-difluoro-2-iodo-5-bromo-1,3-difluoro-2-iodo-benzeneMFCD01861126DTXSID703822244-bromo-2,6-difluoro-1-iodobenzene
Show more names
Bromodifluoroiodobenzene4-Bromo-2,6-difluoroiodobe5-BROMO-1,3-DIFLUORO-2-IODOBENZNE5-Bromo-1,3-difluoro-2-iodobenzene >
AKOS005254968CS-W012011DS-1698B30584-bromo-2,6 difluoro-1-iodobenzene2,6-Difluoro-4-Bromo IodobenzeneAM61337FT-0746828
Database identifiers
- CAS
160976-02-3- PubChem CID
- 2782702
- DTXSID
DTXSID70382224- EC Number
- 678-230-1
- Nikkaji
- J2.651.180A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 40 · 40-41°C
- Boiling point
- 236.1 · 236.1±35.0 °C(Predicted)
- Density
- 2.342 · 2.342±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- form
- crystals
- color
- White to light yellow
- InChI
- InChI=1S/C6H2BrF2I/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
- InChIKey
- NLWAKVGODLJALJ-UHFFFAOYSA-N
- SMILES
- C1(F)=CC(Br)=CC(F)=C1I
- CAS DataBase Reference
- 160976 · 160976-02-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2903998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesDue to its unique chemical structure, 4-Bromo-2,6-difluoroiodobenzene contains halogen atoms such as bromine, fluorine, and iodine, and can participate in a variety of chemical reactions, such as cross-coupling reactions, nucleophilic substitution reactions, rearrangement reactions, etc.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
郑州海阔光电材料有限公司67759225 13526468238 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
3 records
Compound notes
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