Basic information
- CAS
59952-39-5- Standard SMILES
CC1(C)C(C=C(Br)Br)C1C(=O)O- InChIKey
MDIQXIJPQWLFSD-UHFFFAOYSA-N- Molecular formula
- C8H10Br2O2
- Average molar mass
- 297.97 g/mol
- Monoisotopic mass
- 295.90475
Names & identifiers
- Preferred name
- 3-(2,2-Dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid
- IUPAC
- 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
- English name
- 3-(2,2-Dibromovinyl)-2,2-dimethyl cyclopropanecarboxylic Acid
- Molecular formula
- C8H10Br2O2
- Molecular weight
- 297.97
Names & synonyms
3-(2,2-dibromovinyl)-2,2-dimethylcyclopropane-1-carboxylic acidDBCA acidDDPC acidRefChem:39356959952-39-53-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid1S-cis-Decamethrinic Acid72691-18-0C8H10Br2O2cis-Dibromocypermethric acidDeltamethrin Impurity 1 (Mixture of Diastereomers)
Show more names
DeltamethrinImpurity1(±)-Decamethrinic acid2,2-Dimethyl-3-(2,2-dibromovinyl)cyclopropanecarboxylic acid3-(2,2-Dibromovinyl)-2,2-dimethyl cyclopropanecarboxylic Acid
SCHEMBL3380031(1R-cis)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane carboxylic acidDTXSID10975376MDIQXIJPQWLFSD-UHFFFAOYSA-N3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylic acidCyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-DB-164653NS00116137
Database identifiers
- CAS
59952-39-5- PubChem CID
- 181248
- DTXSID
DTXSID10975376- Nikkaji
- J483.353H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 326.4 · 326.4±32.0 °C(Predicted)
- Density
- 1.993 · 1.993±0.06 g/cm3(Predicted)
- pka
- 4.09 · 4.09±0.33(Predicted)
Chemistry & industry
Pharmacology
Metabolism/Metabolites3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid has known human metabolites that include (2S,3S,4S,5R)-6-[3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Suppliers4 total
济南百隆化学有限公司[email protected] · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
17 records
Compound notes
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