Basic information
- CAS
7397-43-5- Standard SMILES
CC(C)(C)OB(OC(C)(C)C)OC(C)(C)C- InChIKey
ZMCWFMOZBTXGKI-UHFFFAOYSA-N- Molecular formula
- C12H27BO3
- Average molar mass
- 230.15 g/mol
- Monoisotopic mass
- 230.20532512
Names & identifiers
- Preferred name
- Tri-tert-butyl borate
- IUPAC
- tritert-butyl borate
- English name
- Tri-tert-butyl borate
- Molecular formula
- C12H27BO3
- Molecular weight
- 230.15
Names & synonyms
Tri-tert-butyl borate7397-43-5DTXSID50302581RefChem:899006DTXCID40253715616-037-6tritert-butyl borateBoric acid,tris(1,1-dimethylethyl) esterTris(tert-butyl) borateTris(tert-butyloxy)boraneBoric acid (H3BO3), tri-tert-butyl esterNSC151952
Show more names
ritert-butylborateBORON TERT-BUTOXIDETRI-TERT-BUTOXYBORANETri-tert-butyl borate 98%Tri-tert-butyl borate,98%boricacidtri-tert-butylester
NSC-151952Boric acid (H3BO3),1-dimethylethyl) esterTRI-TERT-BUTYLBORATETri(1,1-dimethylethoxy)boraneboron t-butoxidetri-t-butylboratetri-t-butyl borateMFCD00009652
Database identifiers
- CAS
7397-43-5- PubChem CID
- 289737
- DTXSID
DTXSID50302581- EC Number
- 616-037-6
- Nikkaji
- J235.961H
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 18 · 18-19 °C (lit.)
- Boiling point
- 101 °C/74 · 101 °C/74 mmHg (lit.)
- Density
- 0.811 g/mL · 0.811 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.389(lit.)
- Flash point
- 85 °F · 85 °F
- storage temp.
- Flammables area
- form
- Liquid
- Specific Gravity
- 0.811 · 0.811
- color
- Colorless
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- InChI
- 1S/C12H27BO3/c1-10(2,3)14-13(15-11(4,5)6)16-12(7,8)9/h1-9H3
- InChIKey
- ZMCWFMOZBTXGKI-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OB(OC(C)(C)C)OC(C)(C)C
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P240-P241-P280a-P303+P361+P353-P501a
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16-33
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- TSCA
- No
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 · Flam. Liq. 3
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- No
- ridadr
- UN 1993 3/PG 3
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16-33
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P240-P241-P280a-P303+P361+P353-P501a
Chemistry & industry
Applications
UsesTri-tert-butyl borate can be used as:An additive in the synthesis of chiral α-hydroxy esters by reacting dimethylzinc with α-ketoesters using ()-2-exo-morpholinoisobornane-10-thiol.A starting material in the synthesis of boronate of (+)-pinane-2,3-diol.
General DescriptionTri-tert-butyl borate is an organoborate commonly used to prepare other borate esters. It is also used as a substrate in Rh-catalyzed carbonylation reactions.
Suppliers23 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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Related reactions
1 records
Compound notes
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