3,5-Diiodo-DL-tyrosine supplier

Name
3,5-Diiodo-DL-tyrosine
EINECS 200-620-3
CAS No. 66-02-4
Article Data13
CAS DataBase
Density 2.405 g/cm³
Solubility 339.9mg/L(25 oC)
Melting Point 213°C (rough estimate)
Formula C₉H₉I₂NO₃
Boiling Point 410.5 °C at 760 mmHg
Molecular Weight 432.984
Flash Point 202.1 °C
Transport Information
Appearance Clear slightly yellow liquid.
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Diiodo-4-hydroxyphenylalanine;3,5-Diiodotyrosine;Agontan;Apothyrin;Cemiod;DIT;DL-3,5-Diiodotyrosine;Dityrin;Flaianina;Gorgoic acid, diiodo-;Gorgonic acid, diiodo-;Iodogorgoicacid;Iodogorgonic acid;Itir;Jodgorgon;NSC 208959;NSC 97936;b-(4-Hydroxy-3,5-diiodophenyl)alanine;
PSA 83.55000
LogP 2.25610

3,5-Diiodo-DL-tyrosine Specification

The 3,5-Diiodo-DL-tyrosine, with CAS registry number 66-02-4, belongs to the following product category: Pharmaceutical Intermediates. It has the systematic name of 3,5-diiodo-L-tyrosine. And its classification codes are Agricultural Chemical and Growth regulator / Fertilizer. What's more, its EINECS is 200-620-3. This chemical can be prepared by the iodization of L-Tyrosine.

Physical properties of 3,5-Diiodo-DL-tyrosine: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.24; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 73.18 cm³; (15)Molar Volume: 180 cm³; (16)Polarizability: 29.01×10^-24cm³; (17)Surface Tension: 79.8 dyne/cm; (18)Enthalpy of Vaporization: 69.9 kJ/mol; (19)Vapour Pressure: 1.78E-07 mmHg at 25°C.

Uses of 3,5-Diiodo-DL-tyrosine: it can be used to produce N-acryloyl acryloyloxy-4 diiodo-3,5-L-phenylalanine. This reaction will need reagent Na₂CO₃ and solvent H₂O. The reaction time is 1 hour(s). The yield is about 73%.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(cc(I)c1O)C[C@@H](C(=O)O)N
(2)InChI: InChI=1/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
(3)InChIKey: NYPYHUZRZVSYKL-ZETCQYMHBZ
(4)Std. InChI: InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
(5)Std. InChIKey: NYPYHUZRZVSYKL-ZETCQYMHSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1110mg/kg (1110mg/kg)		Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(9), Pg. 38, 1990.

Product Name

3,5-Diiodo-DL-tyrosine

3,5-Diiodo-DL-tyrosine Specification

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