Atovaquone Impurity 2

Basic Information

View in Editor

CAS Number

49708-81-8

Molecular Formula

C13H15ClO2

Molecular Weight

238.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

252-254 ºC

Boiling Point

387.1°C at 760 mmHg

SMILES

View in Editor

C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C13H15ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h5-9,11H,1-4H2,(H,15,16)/t9-,11-

InChIKey

NXXDIEYTMQYWJU-HOMQSWHASA-N

LogP

3.698400000000002

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

238

Safety Information

View Safety Information

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

Synonyms & References

English

4-(4-chlorophenyl)cyclohexane-1-carboxylic Acid
trans-4-(4-Chlorophenyl)cyclohexanecarboxylicacid
4-(4-chlorophenyl)-cyclohexane-1-carboxylic acid
NXXDIEYTMQYWJU-HOMQSWHASA-N
Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-, trans-; trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid; trans-4-(p-Chlorophenyl)cyclohexanecarboxylic acid; trans-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid
SY116250
PS-7612
MFCD00665919
SY109890
trans-4-(p-chlorophenyl)cyclohexane carboxylic acid
(4-Chlorophenyl)cyclohexanecarboxylic acid
trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid
4-(4-Chlorophenyl)cyclohexanecarboxylic acid
trans-4-(4-chlorophenyl)cyclohexane carboxylic acid
FT-0652110
AKOS005080984
SR-01000631315-1
4-(4-Chlorophenyl)cyclohexanecarboxylic acid, trans-
4-(4-chloro-phenyl)-cyclohexanecarboxylic acid
A845245
FT-0664893
SCHEMBL918204
SB66535
cis-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid
49708-81-8
H7K9WUV7GP
CS-W012833
SCHEMBL12905598
DS-0937
FT-0616614
SCHEMBL637532

MDL Number

MFCD06797626

Customs Code

2916399090

FAQ

What is Atovaquone Impurity 2 (CAS: 49708-81-8)?

Atovaquone Impurity 2 is a byproduct in the synthesis of atovaquone, an antiparasitic and antifungal medication. It has a molecular formula of C23H28N4O4 and is a yellow solid with a melting point around 180°C.

What are the main uses of Atovaquone Impurity 2 (CAS: 49708-81-8)?

Atovaquone Impurity 2 is primarily used as a quality control reference in the pharmaceutical industry to ensure the purity and safety of atovaquone formulations. It is not used as a standalone drug.

Is Atovaquone Impurity 2 (CAS: 49708-81-8) safe?

Atovaquone Impurity 2 is generally considered safe when handled properly. However, it is important to follow safety precautions, such as wearing appropriate personal protective equipment (PPE) and avoiding inhalation or contact with skin and eyes.

How should Atovaquone Impurity 2 (CAS: 49708-81-8) be stored?

Atovaquone Impurity 2 should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. The storage temperature should be maintained below 30°C to ensure stability.