2-(4-(Difluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Basic Information

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CAS Number

887757-48-4

Molecular Formula

C13H17BF2O3

Molecular Weight

270.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

319.3±37.0℃ at 760 mmHg

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(F)F

InChI

InChI=1S/C13H17BF2O3/c1-12(2)13(3,4)19-14(18-12)9-5-7-10(8-6-9)17-11(15)16/h5-8,11H,1-4H3

InChIKey

BPFSJXBWEVRJFH-UHFFFAOYSA-N

LogP

2.587200000000001

Topological Polar Surface Area

27.69 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

299

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-(4-(Difluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,3,2-Dioxaborolane,2-[4-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-
2-[4-(difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-Difluoromethoxyphenylboronic acid pinacol ester
2-(4-(difluoromethoxy)phenyl)-4,4,5-trimethyl-1,3,2-dioxaborolane
4-(Difluoromethoxy)phenylboronic acid pinacol ester
difluoromethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl ether
PubChem19425
TQU0316
BPFSJXBWEVRJFH-UHFFFAOYSA-N
AB53951
EN000058
ST2403918
(4-(DIFLUOROMETHOXY)PHENYL)BORONIC ACID PINACOL
2-[4-(Difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (ACI)
2-(4-(Difluoromethoxy)phenyl)-4,4,5-trimethyl-1,3,2-dioxaborolane
MFCD09878543
2-(4-difluoromethoxyphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
(4-(DIFLUOROMETHOXY)PHENYL)BORONIC ACID PINACOL ESTER
XH0445
SCHEMBL251345
AKOS015999402
EN300-1726324
887757-48-4
4-Difluoromethoxyphenylboronic acid, pinacol ester
4-Difluoromethoxyphenylboronic
Z1336746055
DTXSID50621820
CS-0139514
DS-17696
4-DIFLUOROMETHOXYPHENYLBORONIC ACID PINACOL ESTER

MDL Number

MFCD09878543

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 2-(4-(Difluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 887757-48-4)?

This compound is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) in the European Union, and the United States Environmental Protection Agency (EPA) and Food and Drug Administration (FDA) requirements. Specific handling, storage, and disposal guidelines must be adhered to based on its classification and potential hazards.

Are there alternatives to 2-(4-(Difluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 887757-48-4) in synthesis?

There are several alternatives, such as using 2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, or other boron-containing compounds like 2-(4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. These alternatives may offer similar functionality but with different reactivity and solubility properties, suitable for various synthetic routes.

What is the market or research trend for 2-(4-(Difluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 887757-48-4)?

The market for this compound is showing steady growth due to its importance in organic synthesis, particularly in asymmetric catalysis and C-H functionalization reactions. Research trends are increasingly focusing on its use in developing new synthetic methodologies and exploring its role in medicinal chemistry and materials science applications.

How should waste containing 2-(4-(Difluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 887757-48-4) be handled?

Waste containing this compound should be collected in properly labeled containers, and disposed of through a professional waste disposal service. Incineration or chemical conversion to non-hazardous substances under controlled conditions is recommended. Environmental protection measures include ensuring no spillage and maintaining proper ventilation during handling to prevent exposure and pollution.