Basic information
- CAS
852227-95-3- Standard SMILES
CC1(C)OB(c2cccc(N3CCOCC3)c2)OC1(C)C- InChIKey
NCJDKFFODGZRRL-UHFFFAOYSA-N- Molecular formula
- C16H24BNO3
- Average molar mass
- 289.2 g/mol
- Monoisotopic mass
- 289.18492403
Names & identifiers
- Preferred name
- 4-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)morpholine
- IUPAC
- 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
- English name
- 3-Morpholinophenylboronic acid pinacol ester
- Molecular formula
- C16H24BNO3
- Molecular weight
- 289.18
Names & synonyms
852227-95-34-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)morpholineDTXSID40400621RefChem:287530DTXCID90351477801-493-23-morpholinophenylboronic acid pinacol esterMFCD034120973-(morpholino)phenylboronic acid pinacol ester3-(4-MORPHOLINO)PHENYLBORONIC ACID PINACOL ESTER3-Morpholinophenylboronic acid, pinacol ester
Show more names
4-[3-(42-dioxaborolan-2-yl)phenyl]Morpholine3-(MORPHOLINO)PHENYLBORONIC ACID PINACOLATE3-(Morphlino-N-yl)phenylboronic acid pinacolate4-[3-(4,4,5,5-Tetramethyl-1,2,3-dioxaborolan-2-yl)phenyl]morpholine
CS-W0054502-[3-(Morpholino)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneAM85928NCJDKFFODGZRRL-UHF3-MORPHOLINOPHENYLBORONIC ACID PINACOLSCHEMBL856181(3-MORPHOLINOPHENYL)BORONIC ACID PINACOL ESTERSCHEMBL29790026
Properties
Computed structural properties
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 235 °C · 235 °C
- Boiling point
- 431.5 · 431.5±40.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 4.99 · 4.99±0.40(Predicted)
- color
- White to Light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2934999090 · 2934999090
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
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (75%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
17 records
Compound notes
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