Basic information
- CAS
1184977-20-5- Standard SMILES
[2H]C1([2H])C(C=C(Br)Br)C1([2H])[2H]- InChIKey
LRBNUEQKNNQJFJ-LNLMKGTHSA-N- Molecular formula
- C5H6Br2
- Average molar mass
- 229.93 g/mol
- Monoisotopic mass
- 227.90873
Names & identifiers
- Preferred name
- 1-(2,2-Dibromoethenyl)-2,2,3,3-d4-cyclopropane
- IUPAC
- 1,1,2,2-tetradeuterio-3-(2,2-dibromoethenyl)cyclopropane
- English name
- 1-(2,2-Dibromoethenyl)-2,2,3,3-d4-cyclopropane
- Molecular formula
- C5H6Br2
- Molecular weight
- 225.90914
Names & synonyms
1-(2,2-Dibromoethenyl)-2,2,3,3-d4-cyclopropane1184977-20-51,1,2,2-tetradeuterio-3-(2,2-dibromoethenyl)cyclopropaneDTXSID90661907AKOS0302544111-(2,2-Dibromoethenyl)(2,2,3,3-~2~H_4_)cyclopropane1-(2,2-Dibromoethen-1-yl)(2,2,3,3-~2~H_4_)cyclopropane(2,2-DibroMoethenyl)cyclopropane-d4
Database identifiers
- CAS
1184977-20-5- PubChem CID
- 45038958
- DTXSID
DTXSID90661907
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 88.3
Physicochemical properties
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate, Hexane, Methanol
- form
- Oil
- color
- Colourless
Chemistry & industry
Applications
UsesAn intermediate in the synthesis of Efavirenz-d4 (E425002).
Suppliers4 total
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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