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1076-97-7

Name 1,4-Cyclohexanedicarboxylic acid
CAS 1076-97-7
EINECS(EC#) 214-068-6
Molecular Formula C8H12O4
MDL Number MFCD00001465
Molecular Weight 172.18
MOL File 1076-97-7.mol
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Chemical Properties

Appearance white fine crystalline powder
Melting point  164-167 °C(lit.)
Boiling point  262.49°C (rough estimate)
density  1.2104 (rough estimate)
refractive index  1.4450 (estimate)
Fp  235°C
storage temp.  Sealed in dry,Room Temperature
form  Powder
pka 4.38±0.10(Predicted)
color  White to off-white
Water Solubility  SOLUBLE
BRN  1870377
InChI InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey PXGZQGDTEZPERC-UHFFFAOYSA-N
SMILES C1(C(O)=O)CCC(C(O)=O)CC1
CAS DataBase Reference 1076-97-7(CAS DataBase Reference)
NIST Chemistry Reference 1,4-Cyclohexanedicarboxylic acid(1076-97-7)
EPA Substance Registry System 1076-97-7(EPA Substance)

Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R36:Irritating to the eyes.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  GU9060000
TSCA  Yes
HS Code  29172090

Hazard Information

Material Safety Data Sheet(MSDS)

Spectrum Detail

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