Basic information
- CAS
350-70-9- Standard SMILES
O=C(OB(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)(F)F- InChIKey
CWBHKBKGKCDGDM-UHFFFAOYSA-N- Molecular formula
- C6BF9O6
- Average molar mass
- 349.86 g/mol
- Monoisotopic mass
- 349.9644213
Overview
See also: Boron tris (trifluoroacetate) (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Tris(trifluoroacetoxy)borane
- IUPAC
- bis[(2,2,2-trifluoroacetyl)oxy]boranyl 2,2,2-trifluoroacetate
- English name
- Boron Tris(trifluoroacetate)
- Molecular formula
- C6BF9O6
- Molecular weight
- 349.86
Names & synonyms
Tris(trifluoroacetoxy)boraneEINECS 206-507-5DTXSID20188536RefChem:900398DTXCID80111027206-507-5350-70-9bis[(2,2,2-trifluoroacetyl)oxy]boranyl 2,2,2-trifluoroacetateBoron tris(trifluoroacetate), (1M Solution in TFA)tris(trifluoroacetyl) borateboron tris(trifluoroacetate)SCHEMBL4721768
Show more names
Tri(trifluoroacetoxy)boraneboron tris(2,2,2-trifluoroacetate)Boron tris(trifluoroacetate) solutiontrifluoroacetic acid, trianhydride with boric acidAcetic acid, trifluoro-, trianhydride with boric acid (H3BO3)bis(2,2,2-trifluoroethanoyloxy)boranyl 2,2,2-trifluoroethanoate
Acetic acid,2,2,2-trifluoro-, anhydride with boric acid (H3BO3) (3:1)NS00042100
Database identifiers
- CAS
350-70-9
Properties
Computed structural properties
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Melting point
- 88 °C · 88 °C (dec).
- Boiling point
- 116.7 · 116.7±50.0 °C(Predicted)
- Density
- 1.521 g/mL · 1.521 g/mL at 25 °C
- form
- Liquid
- color
- Yellow to orange to brown
- Water Solubility
- decomposes in water exothermically; sol organic solvents
- InChI
- 1S/C6BF9O6/c8-4(9,10)1(17)20-7(21-2(18)5(11,12)13)22-3(19)6(14,15)16
- InChIKey
- CWBHKBKGKCDGDM-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(=O)OB(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- Hazard Codes
- C
- Risk Statements
- 20 · 20/21/22-34
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Safety data
- wgk
- 3
- ridadr
- UN 1742 8/PG 2
- hs_code
- 29209085
- risk_code
- 20/21/22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H301
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1A
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
UsesReactant for:Trifluoroacetylation of arenes
UsesBoron tris(trifluoroacetate) is a useful building block in synthetic chemistry. It can also be employed as a catalyst for homoallyboration reactions.
Upstream & downstream products
Downstream products
Suppliers11 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
山东小野化学股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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