Ethanol, 2-chloro-, ester with boric acid (H3BO3) (3:1)
Basic information
- CAS
22238-19-3- Standard SMILES
ClCCOB(OCCCl)OCCCl- InChIKey
ROPXAMHYCWOOOJ-UHFFFAOYSA-N- Molecular formula
- C6H12BCl3O3
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 247.994507
Names & identifiers
- Preferred name
- Ethanol, 2-chloro-, ester with boric acid (H3BO3) (3:1)
- IUPAC
- tris(2-chloroethyl) borate
- English name
- Boric acid tris(2-chloroethyl) ester
- Molecular weight
- 0
Names & synonyms
BORANE, TRIS(2-CHLOROETHOXY)-22238-19-3DTXSID40176778RefChem:1084477DTXCID2099269Ethanol, 2-chloro-, ester with boric acid (H3BO3) (3:1)Tris(2-chloroethyl) borateBoric acid tris(2-chloroethyl) esterTris(2-chloroethoxy)boraneTris(beta-chloroethyl)borateBRN 1704933AI3-08680
Show more names
tris(2-chloroethyl)borateEthanol, 2-chloro-, borateSCHEMBL717228Ethanol, 2-chloro-, triester with boric acid (H3BO3)ROPXAMHYCWOOOJ-UHFFFAOYSA-ROPXAMHYCWOOOJ-UHFFFAOYSA-NInChI=1/C6H12BCl3O3/c8-1-4-11-7(12-5-2-9)13-6-3-10/h1-6H2
Database identifiers
- CAS
22238-19-3- PubChem CID
- 31078
- DTXSID
DTXSID40176778- Nikkaji
- J42.056E
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 90.1
Physicochemical properties
- Boiling point
- 271.16 °C · 271.16°C (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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