2-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-ol

HCID 59166013

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Basic information

CAS: 917397-93-4
Standard SMILES: CC(C)(O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: UVVBTHYPMAWWCK-UHFFFAOYSA-N
Molecular formula: C15H23BO3
Average molar mass: 262.15 g/mol
Monoisotopic mass: 262.1740248

Names & identifiers

Preferred name: 2-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-ol
IUPAC: 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol
English name: 2-[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol
Molecular formula: C15H23BO3
Molecular weight: 262.15232

Names & synonyms

917397-93-42-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol2-(4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-olRefChem:456589834-467-42-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-ol2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-olMFCD187334354-(2-Hydroxy-2-propyl)phenylboronic Acid Pinacol EsterSCHEMBL151089UVVBTHYPMAWWCK-UHFFFAOYSA-NSLB39793

Show more names

2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl)propyl-2-olBenzenemethanol, α,α-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

AKOS027460809NCGC00662591-01AS-48643DA-00954SY036028CS-0197508EN300-95432F52109

Database identifiers

CAS: 917397-93-4
PubChem CID: 59166013
EC Number: 834-467-4

Properties

Computed structural properties

Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 314

Physicochemical properties

Boiling point: 368.6 · 368.6±25.0 °C(Predicted)
Density: 1.04 · 1.04±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 14.42 · 14.42±0.29(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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, 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%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

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