Basic information
- CAS
87100-15-0- Standard SMILES
CC1(C)OB(C2CCCCC2)OC1(C)C- InChIKey
OUEVCDGYTKLNMJ-UHFFFAOYSA-N- Molecular formula
- C12H23BO2
- Average molar mass
- 210.12 g/mol
- Monoisotopic mass
- 210.1791101
Names & identifiers
- Preferred name
- Cyclohexylboronic acid, pinacol ester
- IUPAC
- 2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- English name
- Cyclohexylboronic acid pinacol ester
- Molecular formula
- C12H23BO2
- Molecular weight
- 210.12
Names & synonyms
Cyclohexylboronic acid, pinacol esterRefChem:580850814-148-687100-15-02-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneCYCLOHEXYLBORONIC ACID PINACOL ESTERMFCD04038749(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexane1,3,2-Dioxaborolane, 2-cyclohexyl-4,4,5,5-tetramethyl-SCHEMBL5683205DTXSID80394853AKOS015907186
Show more names
1,3,2-Dioxaborolane, 2-cycloheCyclohexane acid pinacol esterCyclohexylboronic acid pinacol esteCYCLOHEXYLBORONIC ACID ACID PINACOL ESTERREF DUPL: Cyclohexylboronic acid pinacol ester2-Cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane >(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexane
AB17172DS-17414SY033735DB-016118C3101CS-0029524EN300-17062762-Cyclohexyl-4455-tetramethyl-132-dioxaborolane
Database identifiers
- CAS
87100-15-0
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 244.7 · 244.7±9.0 °C(Predicted)
- Density
- 0.93 · 0.93±0.1 g/cm3(Predicted)
- refractive index
- 1.446 to · 1.4460 to 1.4500
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- Liquid
- color
- Colorless
- InChI
- InChI=1S/C12H23BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3
- InChIKey
- OUEVCDGYTKLNMJ-UHFFFAOYSA-N
- SMILES
- O1C(C)(C)C(C)(C)OB1C1CCCCC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29310099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesCyclohexylboronic acid, pinacol ester
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers98 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海有米得科技有限公司18964944463 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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