CAS No.5428-89-7,5-Chloropyrimidin-2-amine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5428-89-7
Name:	5-Chloropyrimidin-2-amine
Article Data:	16

Formula:	C₄H₄ClN₃
Molecular Weight:	129.549
Synonyms:	Pyrimidine,2-amino-5-chloro- (6CI,7CI,8CI);2-Amino-5-chloropyrimidine;5-Chloropyrimidin-2-amine;NSC 13326;5-Chloro-2-pyrimidinamine;
EINECS:	226-581-2
Density:	1.437 g/cm³
Melting Point:	235-238 °C(lit.)
Boiling Point:	314.6 °C at 760 mmHg
Flash Point:	144.1 °C
Appearance:	White crystalline powder
Hazard Symbols:	Xn
Risk Codes:	22-41
Safety:	26-36/37
Transport Information:	UN 2811 6.1/PG 3
PSA:	51.80000
LogP:	1.29340

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Specification

The 2-Amino-5-chloropyrimidine, with the CAS registry number 5428-89-7 and EINECS registry number 226-581-2, has the systematic name of 5-chloropyrimidin-2-amine. And the molecular formula of this chemical is C₄H₄ClN₃. It belongs to the following product categories: Pyridines, Pyrimidines, Purines and Pteredines; Biochemistry; Nucleobases and their analogs; Nucleosides, Nucleotides & Related Reagents; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines Heterocyclic Building Blocks.

The physical properties of 2-Amino-5-chloropyrimidine are as following: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.13; (6)ACD/BCF (pH 7.4): 1.14; (7)ACD/KOC (pH 5.5): 38.07; (8)ACD/KOC (pH 7.4): 38.11; (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: 1.617; (14)Molar Refractivity: 31.56 cm³; (15)Molar Volume: 90.1 cm³; (16)Polarizability: 12.51×10^-24cm³; (17)Surface Tension: 66.4 dyne/cm; (18)Density: 1.437 g/cm³; (19)Flash Point: 144.1 °C; (20)Enthalpy of Vaporization: 55.58 kJ/mol; (21)Boiling Point: 314.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000461 mmHg at 25°C.

Uses of 2-Amino-5-chloropyrimidine: It can react with 2-methyl-benzonitrile to produce N-(5-chloro-pyrimidin-2-yl)-2-methyl-benzamidine. This reaction will need reagent AlCl₃. The reaction time is 5 hours with temperature of 180°C, and the yield is about 58%.

2-Amino-5-chloropyrimidine can react with 2-methyl-benzonitrile to produce N-(5-chloro-pyrimidin-2-yl)-2-methyl-benzamidine

You should be cautious while dealing with this chemical. It has the risk of serious damage to eyes, and it is also harmful if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cnc(nc1)N
(2)InChI: InChI=1/C4H4ClN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)
(3)InChIKey: OQZMDDKDHRIGDY-UHFFFAOYAQ