CAS No.4316-94-3,6-CHLORO-5-NITROPYRIMIDIN-4-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4316-94-3
Name:	6-CHLORO-5-NITROPYRIMIDIN-4-AMINE
Article Data:	11

Formula:	C₄H₃ClN₄O₂
Molecular Weight:	174.546
Synonyms:	Pyrimidine,4-amino-6-chloro-5-nitro- (6CI,7CI,8CI);NSC401941;4-Chloro-5-nitro-6-pyrimidinylamine;4-Amino-6-chloro-5-nitropyrimidine;4-Amino-5-nitro-6-chloropyrimidine;
Density:	1.712 g/cm³
Boiling Point:	394.7 °C at 760 mmHg
Flash Point:	192.5 °C
PSA:	97.62000
LogP:	1.72480

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Specification

The 4-Pyrimidinamine, 6-chloro-5-nitro-, with the CAS registry number of 4316-94-3, is also known as 4-Chloro-5-nitro-6-pyrimidinylamine. This chemical's molecular formula is C₄H₃ClN₄O₂ and molecular weight is 174.55. What's more, its IUPAC name is 6-Chloro-5-nitropyrimidin-4-amine.

Physical properties about 4-Pyrimidinamine, 6-chloro-5-nitro- are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.56; (6)ACD/BCF (pH 7.4): 18.56; (7)ACD/KOC (pH 5.5): 281.61; (8)ACD/KOC (pH 7.4): 281.61; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.84 Å²; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 38.11 cm³; (15)Molar Volume: 101.9 cm³; (16)Surface Tension: 88.5 dyne/cm; (17)Density: 1.712 g/cm³; (18)Flash Point: 192.5 °C; (19)Enthalpy of Vaporization: 64.47 kJ/mol; (20)Boiling Point: 394.7 °C at 760 mmHg; (21)Vapour Pressure: 1.94E-06 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 6-Chloro-pyrimidine-4, 5-diamine by heating. The reaction needs reagent SnCl₂•2H₂O and solvent Ethanol. The reaction time is 1 hour. The yield is about 67 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1c(Cl)ncnc1N
(2) InChI: InChI=1/C4H3ClN4O2/c5-3-2(9(10)11)4(6)8-1-7-3/h1H,(H2,6,7,8)
(3) InChIKey: BWLOHIMQWHFSQF-UHFFFAOYAX