Boric acid, tris(2,2,2-trichloro-1,1-dimethylethyl) ester
Basic information
- CAS
73758-19-7- Standard SMILES
CC(C)(OB(OC(C)(C)C(Cl)(Cl)Cl)OC(C)(C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl- InChIKey
ZMRDGILYNGFIQT-UHFFFAOYSA-N- Molecular formula
- C12H18BCl9O3
- Average molar mass
- 540.1 g/mol
- Monoisotopic mass
- 535.854574
Names & identifiers
- Preferred name
- Boric acid, tris(2,2,2-trichloro-1,1-dimethylethyl) ester
- IUPAC
- tris(1,1,1-trichloro-2-methylpropan-2-yl) borate
- English name
- Tris(2,2,2-trichloro-1,1-dimethylethoxy)borane
- Molecular formula
- C12H18BCl9O3
- Molecular weight
- 540.16
Names & synonyms
BRN 1715914BORIC ACID, TRIS(2,2,2-TRICHLORO-1,1-DIMETHYLETHYL) ESTERTris(beta,beta,beta-trichloro-t-butyl)borate73758-19-7Tris(2,2,2-trichloro-1,1-dimethylethyl)borateDTXSID402241024-01-00-01632 (Beilstein Handbook Reference)RefChem:330134DTXCID00146593tris(1,1,1-trichloro-2-methylpropan-2-yl) borateSCHEMBL4179808Tris(2,2,2-trichloro-1,1-dimethylethoxy)borane
Show more names
2-Propanol, 1,1,1-trichloro-2-methyl-, triester with boric acid (H3BO3) (9CI)
Database identifiers
- CAS
73758-19-7- PubChem CID
- 52399
- DTXSID
DTXSID40224102- Nikkaji
- J78.090A
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 386
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Related reactions
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Compound notes
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