CAS No.1445-39-2,2-AMINO-5-IODOPYRIMIDINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1445-39-2
Name:	2-AMINO-5-IODOPYRIMIDINE
Article Data:	7

Formula:	C₄H₄IN₃
Molecular Weight:	221
Synonyms:	Pyrimidine,2-amino-5-iodo- (7CI,8CI);5-Iodo-2-pyrimidinamine;5-Iodopyrimidin-2-ylamine;NSC 48224;
EINECS:	-0
Density:	2.204 g/cm³
Melting Point:	219 °C
Boiling Point:	364.9 °C at 760 mmHg
Flash Point:	174.5 °C
Appearance:	cream to brown crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38-41-37/38-22
Safety:	37/39-26-39
PSA:	51.80000
LogP:	1.24460

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Specification

The IUPAC name of 2-Amino-5-iodopyrimidine is 5-iodopyrimidin-2-amine. With the CAS registry number 1445-39-2, it is also named as 2-Pyrimidinamine,5-iodo-. The product's categories are Pyridines, Pyrimidines, Purines and Pteredines; Pyrimidine Series; Pyrimidine; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines. Besides, it is cream to brown crystalline powder, which should be stored in tightly sealed containers in a cool, dry place. And you should ensure that the workplaces have well-ventilated or exhaust devices. In addition, its molecular formula is C₄H₄IN₃ and molecular weight is 221.00.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.62; (6)ACD/BCF (pH 7.4): 3.63; (7)ACD/KOC (pH 5.5): 87.41; (8)ACD/KOC (pH 7.4): 87.51; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.02 Å²; (13)Index of Refraction: 1.719; (14)Molar Refractivity: 39.57 cm³; (15)Molar Volume: 100.2 cm³; (16)Polarizability: 15.69×10^-24cm³; (17)Surface Tension: 77 dyne/cm; (18)Density: 2.204 g/cm³; (19)Flash Point: 174.5 °C; (20)Melting Point: 219 °C; (21)Enthalpy of Vaporization: 61.11 kJ/mol; (22)Boiling Point: 364.9 °C at 760 mmHg; (23)Vapour Pressure: 1.63E-05 mmHg at 25 °C.

Preparation of 2-Amino-5-iodopyrimidine: this chemical can be prepared by pyrimidin-2-ylamine.

This reaction needs I₂ and dimethylsulfoxide at temperature of 100 °C. The reaction time is 0.6 hour. The yield is 93 %.

Uses of 2-Amino-5-iodopyrimidine: it can react with N-methoxycarbonyl 7-azabicyclo[2.2.1]-heptene to get 2-(2-amino-pyrimidin-5-yl)-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid methyl ester.

This reaction needs nBu₄NCl, KOOCH, Pd(OAc)₂ and dimethylformamide at temperature of 60 °C for 16 hours. The yield is 74 %.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. It also irritates to eyes, respiratory system and skin.Moreover, it is risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=C(C=NC(=N1)N)I
(2)InChI: InChI=1S/C4H4IN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
(3)InChIKey: HAFKCGZQRIIADX-UHFFFAOYSA-N