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2-(3,5-Dichloro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

HCID 57799146
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1c(Cl)cc(Cl)cc1B1OC(C)(C)C(C)(C)O1
InChIKey
LRROIOHWLLTKER-UHFFFAOYSA-N
Molecular formula
C13H17BCl2O3
Average molar mass
303 g/mol

Names & identifiers

Preferred name
2-(3,5-Dichloro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC
2-(3,5-dichloro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Names & synonyms

2-(3,5-dichloro-2-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneSCHEMBL2415987LRROIOHWLLTKER-UHFFFAOYSA-NE922522-(3,5-Dichloro-2-methoxy-phenyl)-4,4,5,5-tetramethyl-[1,3,2]-dioxaborolane

Database identifiers

PubChem CID
57799146
EC Number
171-824-7

Properties

Computed structural properties

Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
322

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 · 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

2 records
New reaction record
HRID 2100359 reaction equation
HRID 2100359As productuspto-grants-2009_08
HRID 2142351 reaction equation
HRID 2142351As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes