Basic information
- Standard SMILES
CC1(C)O[B]OC1(C)C- InChIKey
LZPWAYBEOJRFAX-UHFFFAOYSA-N- Molecular formula
- C6H12BO2
- Average molar mass
- 126.97 g/mol
- Monoisotopic mass
- 127.09303502
Names & identifiers
- Preferred name
- Pinacolborane
- IUPAC
- 4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl
Names & synonyms
Pinacolborane4,4,5,5-Tetramethyl-1,3,2-dioxaborolane1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-EC 607-485-3DTXSID30422852RefChem:863303DTXCID10373691607-485-325015-63-8Pinacol BoraneMFCD00674030boronic acid pinacol ester
Show more names
HbpinPinacolatoboraneBA5Z9NE6HMSCHEMBL80492SCHEMBL125339Pinacolborane, 1.0M in THFC6H12BO2UCFSYHMCKWNKAH-UHFFFAOYSA-N
Database identifiers
- CAS
25015-63-8- PubChem CID
- 6364989
- DTXSID
DTXSID30422852- UNII
- BA5Z9NE6HM
- EC Number
- 607-485-3
- Nikkaji
- J2.868.080E、J450.667G
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 106
Safety & regulation
GHS classification
GHS Classification
Danger
H220 (18%): Extremely flammable gas [Danger Flammable gases]
P203, P210, P222, P223, P231+P232, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P335+P334, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P332+P317, P362+P364, P370+P378, P377, P381, P402+P404, P403, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 205 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 30-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12082
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Gas 1 (18%)
Related reactions
17 records
Linked notes
Loading…