Basic information
- CAS
58851-63-1- Standard SMILES
COC(=O)C(Br)C1CCCCC1- InChIKey
FVRCRECNPNQSKL-UHFFFAOYSA-N- Molecular formula
- C9H15BrO2
- Average molar mass
- 235.12 g/mol
- Monoisotopic mass
- 234.02554182
Overview
See also: Methyl alpha-bromo-1-cyclohexaneacetate (annotation moved to).
Names & identifiers
- Preferred name
- Methyl 2-bromo-2-cyclohexylacetate
- IUPAC
- methyl 2-bromo-2-cyclohexylacetate
- English name
- a-BroMo-cyclohexaneacetic acid Methyl ester
- Molecular formula
- C9H15BrO2
- Molecular weight
- 235.12
Names & synonyms
methyl 2-bromo-2-cyclohexylacetate58851-63-1A-BROMO-CYCLOHEXANEACETIC ACID METHYL ESTERmethyl bromo(cyclohexyl)acetateMFCD00085712methyl 2-bromo-2-cyclohexyl-acetateNSC165640(2-bromo-cyclohexyl)-acetic acid methyl esterSCHEMBL1605366DTXSID90304408FVRCRECNPNQSKL-UHFFFAOYSA-NAKOS024332533
Show more names
METHYL ALPHA-BROMO-1-CYCLOHEXANEACETATECyclohexaneacetic acid, α-bromo-, methyl ester
NSC-165640DA-04617CS-0331700alpha-Bromo-cyclohexaneacetic acid methyl esterC78328A1-44692
Database identifiers
- CAS
58851-63-1- PubChem CID
- 295968
- DTXSID
DTXSID90304408
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Appearance
- colorless to yellow liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers8 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
天津泛德科技发展有限公司15620920485; 15620920485 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
南京协诺生物技术有限公司025-84112752 13805181430 · [email protected]
Related reactions
2 records
Compound notes
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