2-(4,4-Difluorocyclohexyl)acetic acid

Basic Information

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CAS Number

915030-40-9

Molecular Formula

C8H12F2O2

Molecular Weight

178.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

265.0±10.0℃ at 760 mmHg

Density

1.19±0.1 g/cm3 (20 ºC 760 Torr)

Flash Point

114.1±19.0℃

SMILES

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C1CC(CCC1CC(=O)O)(F)F

InChI

InChI=1S/C8H12F2O2/c9-8(10)3-1-6(2-4-8)5-7(11)12/h6H,1-5H2,(H,11,12)

InChIKey

MQIZLGQPDADKKW-UHFFFAOYSA-N

LogP

2.286600000000001

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

170

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-(4,4-Difluorocyclohexyl)acetic acid
(4,4-DIFLUOROCYCLOHEXYL)ACETIC ACID
4,4-Difluoro-cyclohexaneacetic acid
(4,4-Difluoro-cyclohexyl)-acetic acid
MQIZLGQPDADKKW-UHFFFAOYSA-N
STL556411
BBL102608
5373AC
NE63402
SB13853
Cyclohexaneacetic acid, 4,4-difluoro-
SY037544
AK115963
J1132
4,4-Difluorocyclohexaneacetic acid (ACI)
4,4-Difluorocyclohexylacetic acid
AC-29603
2-(4,4-Difluorocyclohexyl)aceticacid
915030-40-9
CS-0043687
F2147-5425
DTXSID30697669
AKOS006306559
EN300-264706
MFCD11042913
SCHEMBL940485
4,4-Difluorocyclohexaneacetic acid
AU-004/43508294
DA-40586
DS-4357

MDL Number

MFCD11042913

FAQ

What are the physical and chemical properties of 2-(4,4-Difluorocyclohexyl)acetic acid (CAS: 915030-40-9)?

2-(4,4-Difluorocyclohexyl)acetic acid is a colorless solid with a crystalline form. Its molecular weight is approximately 242.14 g/mol. Its solubility in water is low, approximately 0.2 g/L at 25°C. It is less reactive compared to other carboxylic acids but can undergo esterification and acid-base reactions. It is not flammable but may require cooling during synthesis to maintain its crystalline form.

How is 2-(4,4-Difluorocyclohexyl)acetic acid (CAS: 915030-40-9) typically synthesized?

2-(4,4-Difluorocyclohexyl)acetic acid is typically synthesized via the reaction of 4,4-difluorocyclohexanol with acetic anhydride in the presence of a suitable catalyst. Commonly, this is done under mild conditions to achieve high selectivity and yield. The process requires careful control of temperature and reaction time to optimize product purity and minimize side reactions.

What industries use 2-(4,4-Difluorocyclohexyl)acetic acid (CAS: 915030-40-9)?

2-(4,4-Difluorocyclohexyl)acetic acid has applications in pharmaceuticals, where it serves as a precursor in the synthesis of active pharmaceutical ingredients. It is also used in polymer chemistry for modifying polymer properties, in sensors for detection applications, and in the production of semiconductors for electronic devices. Its unique chemical structure makes it valuable in these specialized industries.

What precautions should be taken when handling 2-(4,4-Difluorocyclohexyl)acetic acid (CAS: 915030-40-9)?

When handling 2-(4,4-Difluorocyclohexyl)acetic acid, it is important to use appropriate Personal Protective Equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to prevent inhalation of vapors. Spills should be cleaned up immediately using absorbent material, followed by thorough cleaning with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.