Basic information
- CAS
583-55-1- Standard SMILES
Brc1ccccc1I- InChIKey
OIRHKGBNGGSCGS-UHFFFAOYSA-N- Molecular formula
- C6H4BrI
- Average molar mass
- 282.9 g/mol
- Monoisotopic mass
- 281.85411023
Names & identifiers
- Preferred name
- 1-Bromo-2-iodobenzene
- IUPAC
- 1-bromo-2-iodobenzene
- English name
- 1-Bromo-2-iodobenzene
- Molecular formula
- C6H4BrI
- Molecular weight
- 282.9
Names & synonyms
1-BROMO-2-IODOBENZENE2-Bromoiodobenzeneo-BromoiodobenzeneBenzene, 1-bromo-2-iodo-EINECS 209-508-9DTXSID10603942bromoiodobenzeneBenzene, 1bromo2iodoRefChem:75073DTXCID2042359209-508-9InChI=1/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4
Show more names
1-Iodo-22-BROMOINDAN-1-ONE0-bromoiodobenzene2- Bromiodobenzene1-Brom-2-iodbenzolO-iodobromobenzene
OIRHKGBNGGSCGS-UHFFFAOYSA-N583-55-12-bromo-iodobenzene1-bromo-2-iodo-benzeneMFCD00001030533-55-12-bromo-1-iodobenzene2-iodobromobenzene
Database identifiers
- CAS
583-55-1- PubChem CID
- 11415
- DTXSID
DTXSID1060394- UNII
- QU648LDT6Z
- EC Number
- 209-508-9
- Nikkaji
- J94.973F
Properties
Computed structural properties
- XLogP
- 3.7
- 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
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials PropertiesDensity
Physical DescriptionYellow liquid; mp = 9-10 deg C; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 9 · 9-10 °C(lit.)
- Boiling point
- 120 · 120-121 °C15 mm Hg(lit.)
- Density
- 2.203 g/mL · 2.203 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.661(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
- Liquid
- Specific Gravity
- 2.203 · 2.203
Safety & regulation
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 56 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 08-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22632
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29049090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Light Sensitive
- safety_code
- 26-36/37-37/39
- hazard_class
- IRRITANT, LIGHT SENSITIVE
- Storage Class
- 10 - Combustible liquids
- target organs
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-bromo-2-iodo-: ACTIVE
Applications
Uses2-Bromoiodobenzene is used in the synthesis of diarylamines.
Usessuzuki reaction. Used as a starting material for coupling reactions and a useful benzyne precursor.
Upstream & downstream products
Downstream products
Related reactions
89 records
Compound notes
Loading…