49708-81-8

Name 4-(4-Chlorophenyl)cyclohexanecarboxylic acid
CAS 49708-81-8
EINECS(EC#) 212-512-3
Molecular Formula C13H15ClO2
MDL Number MFCD06797626
Molecular Weight 238.71
MOL File 49708-81-8.mol
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Chemical Properties

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 Data

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 Information

Spectrum Detail

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