2-(3,4-Diethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 59619902
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Basic information

CAS
1005009-95-9
Standard SMILES
CCOc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OCC
InChIKey
MBCMPJGYOKNJKF-UHFFFAOYSA-N
Molecular formula
C16H25BO4
Average molar mass
292.2 g/mol

Names & identifiers

Preferred name
2-(3,4-Diethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC
2-(3,4-diethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Names & synonyms

1005009-95-92-(3,4-diethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneRefChem:454582979-408-41,3,2-DIOXABOROLANE, 2-(3,4-DIETHOXYPHENYL)-4,4,5,5-TETRAMETHYL-2-(3,4-diethoxyphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane2-(3,4-diethoxy-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolaneSCHEMBL182626MBCMPJGYOKNJKF-UHFFFAOYSA-NMFCD22494883AKOS018222619DB-337559
Show more names
CS-0531341EN300-1425797Z13367450981,3,2-DIOXABOROLANE,2-(3,4-DIETHOXYPHENYL)-4,4,5,5-TETRAMETHYL-

Database identifiers

CAS
1005009-95-9
PubChem CID
59619902
EC Number
979-408-4

Properties

Computed structural properties

Topological polar surface area
36.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21

Safety & regulation

GHS classification

GHS Classification · 4 items

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%)

Related reactions

1 records
New reaction record

Compound notes

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