Basic information
- CAS
26203-81-6- Standard SMILES
CCOC(=O)COc1c(Br)cc(Br)cc1Br- InChIKey
RXORLAYFBHDJAA-UHFFFAOYSA-N- Molecular formula
- C10H9Br3O3
- Average molar mass
- 416.89 g/mol
- Monoisotopic mass
- 413.81018
Names & identifiers
- Preferred name
- Acetic acid, (2,4,6-tribromophenoxy)-, ethyl ester
- IUPAC
- ethyl 2-(2,4,6-tribromophenoxy)acetate
- English name
- 2,4,6-Tribromophenoxyacetic acid ethyl ester
- Molecular formula
- C10H9Br3O3
- Molecular weight
- 416.89
Names & synonyms
26203-81-6BRN 1884300Ethyl 2,4,6-tribromophenoxyacetateACETIC ACID, (2,4,6-TRIBROMOPHENOXY)-, ETHYL ESTERDTXSID501808410-06-00-00205 (Beilstein Handbook Reference)RefChem:316115DTXCID90103332ethyl 2-(2,4,6-tribromophenoxy)acetate2,4,6-Tribromophenoxyacetic acid ethyl esterAKOS009143420ethyl (2,4,6-tribromophenoxy)acetate
Show more names
Acetic acid, 2-(2,4,6-tribromophenoxy)-, ethyl ester
I82607
Database identifiers
- CAS
26203-81-6- PubChem CID
- 33358
- DTXSID
DTXSID50180841- Nikkaji
- J54.983E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 70 · 70-71 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 382.7 · 382.7±37.0 °C(Predicted)
- Density
- 1.939 · 1.939±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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