ChemicalBook--->CAS DataBase List--->49708-81-8

49708-81-8

49708-81-8 Structure

49708-81-8 Structure
IdentificationBack Directory
[Name]

4-(4-Chlorophenyl)cyclohexanecarboxylic acid
[CAS]

49708-81-8
[Synonyms]

Atovaquone Impurity 8
Atovaquone Impurity 2
Atovaquone Impurity 19
4-(4-Chlorophenyl)cyclohexanecarboxylic
4-(4-Chlorophenyl)cyclohexanecarboxylic acid
4-(4-CHLOROPHENYL)CYCLOHENXANECARBOXYLICACID
TRANS-4-(4-CHLOROPHENYL)CYCLOHEXANECARBOXYLIC
4-(CHLOROPHENYL) CYCLOHEXANE-1-CARBOXYLIC ACID
4-(p-Chlorophenyl)-1-cyclohexanecarboxylic acid
TRANS-4-(4-CHLOROPHENYL)CYCLOHEXANECARBOXYLIC ACID
(1r,4r)-4-(4-Chlorophenyl)cyclohexanecarboxylic acid
Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-,trans-
TRANS]-4-(4-CHLOROPHENYL)-CYCLOHEXANE-1-CARBOXYLIC ACID
trans-4-(4-Chlorophenyl)cyclohexane-1-carboxylicacid,98%
TRANS-4-(4-CHLOROPHENYL)CYCLOHEXANECARBOXYLIC ACID (ATOVAQUONE INTERMEDIATE)/ 49708-81-8
1-Chloro-4-(trans-4-carboxycyclohex-1-yl)benzene, trans-1-Carboxy-4-(4-chlorophenyl)cyclohexane
[EINECS(EC#)]

212-512-3
[Molecular Formula]

C13H15ClO2
[MDL Number]

MFCD06797626
[MOL File]

49708-81-8.mol
[Molecular Weight]

238.71
Chemical PropertiesBack Directory
[Melting point ]

252-254 °C
[Boiling point ]

387.1±42.0 °C(Predicted)
[density ]

1.225±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly, Sonicated)
[form ]

Solid
[pka]

4.80±0.10(Predicted)
[color ]

White to Off-White
[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
[SMILES]

[C@@H]1(C(O)=O)CC[C@@H](C2=CC=C(Cl)C=C2)CC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[HS Code ]

2925290090
Hazard InformationBack Directory
[Chemical Properties]

off-white powder
[Uses]

trans-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid is an impurity of Atovaquone (A793500), which is a hydroxynaphthoquinone derivative that inhibits mitochondrial electron transport and possess antipneumocystic activity.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(4-Chlorophenyl)cyclohexanecarboxylic acid(49708-81-8)1HNMR
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