Benzene, 1-bromo-3-iodo-
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Basic information
- CAS
591-18-4- Standard SMILES
Brc1cccc(I)c1- InChIKey
CTPUUDQIXKUAMO-UHFFFAOYSA-N- Molecular formula
- C6H4BrI
- Average molar mass
- 282.9 g/mol
- Monoisotopic mass
- 281.85411023
Names & identifiers
- Preferred name
- Benzene, 1-bromo-3-iodo-
- IUPAC
- 1-bromo-3-iodobenzene
- English name
- 1-Bromo-3-iodobenzene
- Molecular formula
- C6H4BrI
- Molecular weight
- 282.9
Names & synonyms
1-BROMO-3-IODOBENZENE591-18-4Benzene, 1-bromo-3-iodo-EINECS 209-703-9DTXSID9060447RefChem:562414DTXCID0042539209-703-93-Bromoiodobenzenem-Bromoiodobenzene3-bromo-1-iodobenzeneMFCD00001043
Show more names
3-bromoiodbenzenem-Iodobromobenzene3- Bromiodobenzene1-Brom-3-iodbenzol3-Bromophenyl iodide1-Bromo-3-iodobezene
1-iodo-3-bromobenzene3-iodobromobenzene3-bromo iodobenzene3-iodo-bromobenzeneMQH7NC2UMH3-Bromo-1-iodo-benzene3-Bromoiodobenzene, 98%PB47618
Database identifiers
- CAS
591-18-4- PubChem CID
- 11561
- DTXSID
DTXSID9060447- UNII
- MQH7NC2UMH
- EC Number
- 209-703-9
- Nikkaji
- J94.974D
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Physicochemical properties
- Melting point
- 9.3 · −9.3-−9 °C(lit.)
- Boiling point
- 120 °C18 · 120 °C18 mm Hg(lit.)
- Density
- 2.219 g/mL · 2.219 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.66(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless
- Specific Gravity
- 2.219 · 2.219
- Water Solubility
- insoluble
- Sensitive
- Light Sensitive
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 52 reports by companies from 9 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
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29039990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-24/25
- hazard_class
- IRRITANT, LIGHT SENSITIVE
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-bromo-3-iodo-: ACTIVE
Applications
Uses1-Bromo-3-iodobenzene is used in the preparation of 3'-bromo-2,3,4,5,6-pentaethyl-biphenyl by reacting with hex-3-yne. It is also used to prepare 1-(3'-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene and 1-(3'-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene. Further, it is involved in the preparation of oxygen-tethered 1,6-enynes.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
151 records
Compound notes
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