1041-01-6

Name 3,5-Diiodo-L-thyronine
CAS 1041-01-6
EINECS(EC#) 213-867-7
Molecular Formula C15H13I2NO4
MDL Number MFCD00064987
Molecular Weight 525.08
MOL File 1041-01-6.mol
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Chemical Properties

Appearance Off-White Solid
Melting point  255-260 °C (dec.)
Boiling point  559.4±50.0 °C(Predicted)
density  2.095±0.06 g/cm3(Predicted)
vapor pressure  0.011Pa at 45℃
storage temp.  2-8°C
solubility  Acidic Alcohol (Slightly), Aqueous Base (Slightly)
form  Solid
pka 2.15±0.30(Predicted)
color  White to Light Brown
Water Solubility  20.147mg/L at 20℃
Usage Of interest for the early detection and treatment of congenital or drug-induced hypothyroidism.
BRN  2707891
Stability: Hygroscopic
Major Application pharmaceutical
InChI 1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)/t13-/m0/s1
InChIKey ZHSOTLOTTDYIIK-ZDUSSCGKSA-N
SMILES Ic1c(c(cc(c1)C[C@H](N)C(=O)O)I)Oc2ccc(cc2)O
LogP 1.1 at 25℃
CAS DataBase Reference 1041-01-6(CAS DataBase Reference)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P280-P305+P351+P338
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
F  8
REACH Registrations Active
HS Code  29225090
Storage Class 13 - Non Combustible Solids
Hazard Classifications Aquatic Chronic 3

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