1-Butanol, 2,2-bis((2,3-dibromopropoxy)methyl)-, 1,1',1''-triester with boric acid (H3BO3)
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Basic information
- CAS
68555-87-3- Standard SMILES
CCC(COCC(Br)CBr)(COCC(Br)CBr)COB(OCC(CC)(COCC(Br)CBr)COCC(Br)CBr)OCC(CC)(COCC(Br)CBr)COCC(Br)CBr- InChIKey
VPLXQINUDPTQSD-UHFFFAOYSA-N- Molecular formula
- C36H63BBr12O9
- Average molar mass
- 1,609.5 g/mol
- Monoisotopic mass
- 1,597.4766
Names & identifiers
- Preferred name
- 1-Butanol, 2,2-bis((2,3-dibromopropoxy)methyl)-, 1,1',1''-triester with boric acid (H3BO3)
- IUPAC
- tris[2,2-bis(2,3-dibromopropoxymethyl)butyl] borate
- English name
- Boric acid tris[2,2-bis[(2,3-dibromopropoxy)methyl]butyl] ester
- Molecular formula
- C36H63BBr12O9
- Molecular weight
- 1609.55
Names & synonyms
68555-87-3Trimethylolpropane, di(2,3-dibromopropylether), borate1-Butanol, 2,2-bis((2,3-dibromopropoxy)methyl)-, 1,1',1''-triester with boric acid (H3BO3)1-Butanol, 2,2-bis((2,3-dibromopropoxy)methyl)-, triester with boric acid (H3BO3)1-Butanol, 2,2-bis[(2,3-dibromopropoxy)methyl]-, triester with boric acid (H3BO3)1-Butanol, 2,2-bis[(2,3-dibromopropoxy)methyl]-, 1,1',1''-triester with boric acid (H3BO3)RefChem:75213tris{2,2-bis[(2,3-dibromopropoxy)methyl]butyl} borateDTXSID80988231Boric acid tris[2,2-bis[(2,3-dibromopropoxy)methyl]butyl] ester
Database identifiers
- CAS
68555-87-3- PubChem CID
- 110564
- DTXSID
DTXSID80988231- Nikkaji
- J441.195A
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 42
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 802
Physicochemical properties
- Boiling point
- 983.7 · 983.7±65.0 °C(Predicted)
- Density
- 1.865 · 1.865±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1-Butanol, 2,2-bis[(2,3-dibromopropoxy)methyl]-, triester with boric acid (H3BO3) (68555-87-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Butanol, 2,2-bis[(2,3-dibromopropoxy)methyl]-, 1,1',1''-triester with boric acid (H3BO3): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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