Basic information
- CAS
25240-59-9- Standard SMILES
CC1(C)OB(O)OC1(C)C- InChIKey
ZZPNDIHOQDQVNU-UHFFFAOYSA-N- Molecular formula
- C6H13BO3
- Average molar mass
- 143.98 g/mol
- Monoisotopic mass
- 144.0957744
Names & identifiers
- Preferred name
- Boric acid, pinacol ester
- IUPAC
- 2-hydroxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- English name
- 4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-ol
- Molecular formula
- C6H13BO3
- Molecular weight
- 143.98
Names & synonyms
Boric acid, pinacol esterRefChem:570015800-445-825240-59-92-hydroxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-olBoric acid pinacol estertetramethyl-1,3,2-dioxaborolan-2-olNSC-6388351,3,2-Dioxaborolane, 2-hydroxy-4,4,5,5-tetramethyl-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-OLUNII-J2YVW7NQB5
Show more names
Trandolapril Impurity 25Pinacolborane Impurity 11,3,2-Dioxaborolane,2-hydroxy-4,4,5,5-tetramethyl-
MFCD15143603NSC638835J2YVW7NQB5Hydroxo(2,3-diolato)borone(III)AKOS0063341792,3-Butanediol, 2,3-dimethyl-, cyclic ester with boric acid (H3BO3)2,3-Butanediol, 2,3-dimethyl-, cyclic borate2-Hydroxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; NSC 638835; Cyclic Borate 2,3-Dimethyl-2,3butanediol;
Database identifiers
- CAS
25240-59-9- PubChem CID
- 368290
- DTXSID
DTXSID00327249- ChEMBL
CHEMBL1965861- UNII
- J2YVW7NQB5
- EC Number
- 800-445-8
- Nikkaji
- J1.727.542I
Properties
Computed structural properties
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 141.8 · 141.8±23.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- storage temp.
- Room temperature.
- solubility
- Acetonitrile (Slightly), Chloroform (Sparingly), Methanol (Slightly)
- form
- solid
- pka
- 13.8 · 13.80±0.60(Predicted)
- color
- White
- FDA UNII
- 2 YVW7NQB5 · J2YVW7NQB5
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335-H361
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2931900090 · 2931900090
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- Hazard statements
- H302-H315-H319-H335-H361
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesBoric Acid, Pinacol Ester was a useful reagent in the study of hydrogen peroxide inducible DNA croslsinking agents as anticancer prodrugs.
Suppliers38 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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