2(1H)-Pyrimidinone,6-amino-5-iodo- supplier

Name
5-IODOCYTOSINE
EINECS 625-390-5
CAS No. 1122-44-7
Article Data18
CAS DataBase
Density 2.65 g/cm³
Solubility
Melting Point
Formula C₄H₄IN₃O
Boiling Point 480.2 °C at 760 mmHg
Molecular Weight 237
Flash Point 244.2 °C
Transport Information
Appearance
Safety 24/25
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2(1H)-Pyrimidinone,4-amino-5-iodo- (9CI);Cytosine, 5-iodo- (7CI,8CI);5-Iodocytosine;
PSA 71.77000
LogP 0.53790

2(1H)-Pyrimidinone,6-amino-5-iodo- Specification

This chemical is called 2(1H)-Pyrimidinone,6-amino-5-iodo-, and its systematic name is 6-amino-5-iodopyrimidin-2(1H)-one. With the molecular formula of C₄H₄IN₃O, its molecular weight is 236.99. The CAS registry number of this chemical is 1122-44-7. Additionally, it should be stored at -20°C. However, it's harmful if swallowed.

Other characteristics of the 2(1H)-Pyrimidinone,6-amino-5-iodo- can be summarised as followings: (1)ACD/LogP: -1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -1.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.9; (8)ACD/KOC (pH 7.4): 3.72; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.91 Å²; (13)Index of Refraction: 1.852; (14)Molar Refractivity: 39.95 cm³; (15)Molar Volume: 89.2 cm³; (16)Polarizability: 15.83×10^-24cm³; (17)Surface Tension: 82.5 dyne/cm; (18)Density: 2.65 g/cm³; (19)Flash Point: 244.2 °C; (20)Enthalpy of Vaporization: 77.3 kJ/mol; (21)Boiling Point: 480.2 °C at 760 mmHg; (22)Vapour Pressure: 7.64E-10 mmHg at 25°C.

Uses of this chemical: The 2(1H)-Pyrimidinone,6-amino-5-iodo- could react with toluene-4-sulfonyl chloride to obtain the 4-imino-5-iodo-1-(toluene-4-sulfonyl)-3,4-dihydro-1H-pyrimidin-2-one. This reaction needs the reagent of pyridine. The yield is 52 %. In addition, this reaction should be taken at the temperature of 20 °C.

The 2(1H)-Pyrimidinone,6-amino-5-iodo- could react with toluene-4-sulfonyl chloride to obtain the 4-imino-5-iodo-1-(toluene-4-sulfonyl)-3,4-dihydro-1H-pyrimidin-2-one

You can still convert the following datas into molecular structure:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	50mg/kg (50mg/kg)		Biochemical Pharmacology. Vol. 13, Pg. 1249, 1964.

Product Name

5-IODOCYTOSINE

2(1H)-Pyrimidinone,6-amino-5-iodo- Specification

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