5-(Difluoromethoxy)-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole

Basic Information

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CAS Number

102625-70-7

Molecular Formula

C16H15F2N3O4S

Molecular Weight

383.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

139-140° (dec)

Boiling Point

586.9 °C at 760 mmHg

Density

1.51

Flash Point

308.7 °C

Refractive Index

1.642

SMILES

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COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F)OC

InChI

InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)

InChIKey

IQPSEEYGBUAQFF-UHFFFAOYSA-N

LogP

2.8843000000000005

pKa

pKa1 3.92; pKa2 8.19(at 25℃)

Topological Polar Surface Area

86.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

490

Synonyms & References

English

5-(difluoromethoxy)-2-(((3,4-dimethoxypyridin-2-yl)methyl)sulfinyl)-1H-benzimidazole
GTPL7260
Tox21_111477_1
Pantoprazole sodium hydrate
2-(((3,4-Dimethoxy-2-pyridinyl)methyl)-sulfinyl)-5-methyl-1H-1,3-benzimidazole
CCG-213558
Tox21_111477
DTXCID803416
HY-17507
apo-Pantoprazole
Altopan
BSPBio_002320
BDBM50241342
NCGC00095188-05
Q286846
A901011
5-Difluoromethoxy-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-1H-benzimidazole
Pantozol
CAS-102625-70-7
AC-679
SCHEMBL29465
Pantoloc Control
SMR002533625
BRD-A22380646-001-02-3
PANTOPRAZOLE [VANDF]
SPECTRUM1505818
102625-70-7
Pantoprazole [USAN:INN:BAN]
D05353
6-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazole
s2105

MDL Number

MFCD00870182

FAQ

What regulatory guidelines apply to 5-(Difluoromethoxy)-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 102625-70-7)?

This compound must comply with GHS classification for health and environmental hazards. Regulatory guidelines include REACH for EU registration, and FDA/EPA for safety and environmental protection. Proper handling, storage, and disposal protocols are required to ensure compliance with local and international regulations.

Are there alternatives to 5-(Difluoromethoxy)-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 102625-70-7) in synthesis?

There are several alternatives in synthesis, including using isomers or analogs like 5-(fluoromethoxy)-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole. Common alternative reagents include sulfur dioxide and dimethyl sulfoxide for sulfinylation reactions.

What is the market or research trend for 5-(Difluoromethoxy)-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 102625-70-7)?

Research trends indicate a growing interest in this compound for its unique biological activity, particularly in antiviral and anti-inflammatory applications. Market demand is increasing as more studies validate its efficacy and safety, leading to potential applications in pharmaceuticals and agrochemicals.

How should waste containing 5-(Difluoromethoxy)-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole (CAS: 102625-70-7) be handled?

Waste containing this compound should be collected in appropriate containers, labeled with hazardous waste symbols, and handled by professional waste disposal services. Incineration or safe chemical neutralization is recommended to minimize environmental impact, followed by safe disposal of the residue according to local regulations.