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Cholic-2,2,4,4-d4 acid Structure

Cholic-2,2,4,4-d4 acid

  • Product NameCholic-2,2,4,4-d4 acid
  • CAS116380-66-6
  • CBNumberCB0334837
  • MFC24H36D4O5
  • MW412.6
  • MDL NumberMFCD00209701
  • MOL File116380-66-6.mol

Chemical Properties

Melting point: 200-201°C (lit.)
Boiling point: 583.876±50.00 °C(Press: 760.00 Torr)(predicted)
Density  1.185±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.  Store at -20°C
solubility  DMF: 30 mg/ml,DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml,DMSO: 20 mg/ml,Ethanol: 20 mg/ml
form  Solid
pka 4.758±0.10(predicted)
color  White to Off-White
InChIKey BHQCQFFYRZLCQQ-XJNZYMKVNA-N
SMILES [2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(O)=O
CAS Number Unlabeled 81-25-4

Safety

Symbol(GHS)  Flame (GHS02)Health Hazard (GHS08)
GHS02,GHS08
Signal word  Danger
Hazard statements  H225-H370
Precautionary statements  P210-P233-P240-P241-P242-P243-P260-P264-P270-P280-P303+P361+P353-P307+P311-P321-P370+P378-P403+P235-P405-P501
PPE Eyeshields, Gloves, type N95 (US)
WGK Germany  3
Storage Class 11 - Combustible Solids
NFPA 704:
3
0 0

Cholic-2,2,4,4-d4 acid Chemical Properties,Usage,Production

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