2-(3-Methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 20580667

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Basic information

CAS: 351456-69-4
Standard SMILES: COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C
InChIKey: WFZZMEOXDLWFHI-UHFFFAOYSA-N
Molecular formula: C14H21BO3
Average molar mass: 248.13 g/mol

Names & identifiers

Preferred name: 2-(3-Methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC: 2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
English name: 3-Methoxy-2-methylphenylboronic acid pinacol ester
Molecular formula: C14H21BO3
Molecular weight: 248.13

Names & synonyms

351456-69-42-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneRefChem:455657875-227-93-Methoxy-2-methylphenylboronic acid pinacol esterMFCD22494163SCHEMBL1870652WFZZMEOXDLWFHI-UHFFFAOYSA-NAS-96034DB-133452CS-0189188E92383

Show more names

EN300-12633262F627329Z20500096011,3,2-Dioxaborolane, 2-(3-methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-2-(3-methoxy-2-methyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane2-(3-methoxy-2-methyl-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Database identifiers

CAS: 351456-69-4
PubChem CID: 20580667
EC Number: 875-227-9

Properties

Computed structural properties

Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 287

Physicochemical properties

storage temp.: Store at room temperature
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H302-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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%)

Safety data

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