3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid

Basic Information

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CAS Number

162401-62-9

Molecular Formula

C12H12F2O4

Molecular Weight

258.22 g/mol

Basic Physical Properties

Physical State

Powder

Melting Point

117-123°C

Boiling Point

356.4℃ at 760 mmHg

SMILES

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c1cc(c(cc1C(=O)O)OCC2CC2)OC(F)F

InChI

InChI=1S/C12H12F2O4/c13-12(14)18-9-4-3-8(11(15)16)5-10(9)17-6-7-1-2-7/h3-5,7,12H,1-2,6H2,(H,15,16)

InChIKey

IGFDIFLMMLWKKY-UHFFFAOYSA-N

LogP

2.7750000000000012

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

294

Safety Information

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Hazard Statement

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid
3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid
3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid
Roflumilast
3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid
Roflumilast Impurity J
Roflumilast intermediate B
RofluMilast InterMediate II
CYCLOPROPYL DIFLUOROMETHOXYBENOZOIC ACID
3-CyclopropylMethoxy-4-isopropoxy-benzoic acid
3-CyclopropyMethoxy-4-difluoroMethoxy benzoic acid
Benzoic acid, 3-(cyclopropylMethoxy)-4-(difluoroMethoxy)-
IGFDIFLMMLWKKY-UHFFFAOYSA-N
C12H12F2O4
BCP07140
BBL101833
STL555630
SY042625
AS-1
3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid

MDL Number

MFCD04621687

Customs Code

2942000000

FAQ

What is 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid (CAS: 162401-62-9)?

3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid is a chemical compound with the CAS number 162401-62-9. It is a white or off-white powder with a molecular formula of C12H12F2O4 and a molecular weight of 264.22. This compound is used in pharmaceutical research for its potential as an intermediate in the synthesis of drugs.

What are the main uses of 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid (CAS: 162401-62-9)?

3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid is primarily used as a pharmaceutical intermediate. It serves as a key component in the development of new drugs and the modification of existing drug molecules to improve their properties.

Is 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid (CAS: 162401-62-9) safe?

3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid is safe when handled properly. It is not considered toxic, but users should wear gloves and goggles to protect themselves from skin and eye contact. Storage in a cool, dry place away from direct sunlight is recommended.

How should 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid (CAS: 162401-62-9) be stored?

3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid should be stored in a cool, dry place, preferably below 25°C, away from direct sunlight. Containers should be tightly sealed to prevent moisture absorption and contamination. It is advisable to keep it in a well-ventilated area to avoid the risk of inhalation.