2-(5,6-dihydro-2H-pyran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 15836633

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Basic information

CAS: 212127-81-6
Standard SMILES: CC1(C)OB(C2=CCCOC2)OC1(C)C
InChIKey: ABXRLUFQGNZBME-UHFFFAOYSA-N
Molecular formula: C11H19BO3
Average molar mass: 210.08 g/mol
Monoisotopic mass: 210.1427246

Names & identifiers

Preferred name: 2-(5,6-dihydro-2H-pyran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(3,6-dihydro-2H-pyran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
English name: 3,6-dihydropyran-5-boronic ester
Molecular formula: C11H19BO3
Molecular weight: 210.08

Names & synonyms

2-(5,6-dihydro-2H-pyran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneRefChem:458432827-656-8212127-81-6MFCD22189459(5,6-Dihydro-2H-pyran-3-yl)boronic acid pinacol ester2-(3,6-dihydro-2H-pyran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane3,6-dihydropyran-5-boronic esterSCHEMBL570904DTXSID30578747ABXRLUFQGNZBME-UHFFFAOYSA-NMIA12781

Show more names

5,6-Dihydro-2H-pyran-3-boronic Acid Pinacol Ester5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyran2H-Pyran, 3,6-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(5,6-Dihydro-2H-pyran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - [D22318]

AKOS025146760SB12727NCGC00663119-01AS-36644SY046642DB-291894CS-0052268EN300-761585

Database identifiers

CAS: 212127-81-6
PubChem CID: 15836633
DTXSID: DTXSID30578747
EC Number: 827-656-8
Nikkaji: J994.255F

Properties

Computed structural properties

Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 268

Physicochemical properties

Boiling point: 238.6 · 238.6±50.0 °C(Predicted)
Density: 1.01 · 1.01±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H302-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H302-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501