Basic information
- CAS
557-68-6- Standard SMILES
BrCI- InChIKey
TUDWMIUPYRKEFN-UHFFFAOYSA-N- Molecular formula
- CH2BrI
- Average molar mass
- 220.84 g/mol
- Monoisotopic mass
- 219.83846
Overview
strucure in first source
Names & identifiers
- Preferred name
- Bromoiodomethane
- IUPAC
- bromo(iodo)methane
- English name
- Bromoiodomethane
- Molecular formula
- CH2BrI
- Molecular weight
- 220.84
Names & synonyms
Bromoiodomethane557-68-6Methane, bromoiodo-DTXSID50204233RefChem:121595DTXCID50126724628-284-7bromo(iodo)methaneCH2BrIMFCD00041452Bromoiodomethane, stabilized with copperbromo-iodo-methane
Show more names
BroMoiodoMethane 97%1-broMo-1-iodoMethaneMethane, bromoiodo- (6CI,7CI,8CI,9CI)Bromoiodomethane (stabilized with Copper chip)(
Bromoiodomethane, 97%X3346SCHEMBL510230SCHEMBL6151481SCHEMBL6151482AKOS015836184AS-18945SY040802
Database identifiers
- CAS
557-68-6- PubChem CID
- 68407
- DTXSID
DTXSID50204233- EC Number
- 628-284-7
- Nikkaji
- J430H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 4.8
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 138 · 138-141 °C (lit.)
- Density
- 2.93 g/mL · 2.93 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.6382(lit.)
- storage temp.
- 2 · 2-8°C(protect from light)
- Appearance
- Colorless to light yellow Liquid
- Henry's Law Constant
- 2 · 2.0×10-2 mol/(m3Pa) at 25℃, Karagodin-Doyennel et al. (2021)
- InChI
- 1S/CH2BrI/c2-1-3/h1H2
- InChIKey
- TUDWMIUPYRKEFN-UHFFFAOYSA-N
- SMILES
- BrCI
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 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
- risk_code
- 37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-36/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H318-H335
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
UsesReactant for:Carbene insertion reactionsUltrafast photodissociation
Upstream & downstream products
Downstream products
Suppliers42 total
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]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
铜陵立事达化学科技有限公司19064063435 18606623089 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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