2-Chloropyrimidine-4,5-diamine supplier

Name
2-CHLORO-4,5-DIAMINOPYRIMIDINE
EINECS 238-672-4
CAS No. 14631-08-4
Article Data7
CAS DataBase
Density 1.564 g/cm³
Solubility
Melting Point 220 °C (decomp)
Formula C₄H₅ClN₄
Boiling Point 417.9 °C at 760 mmHg
Molecular Weight 144.564
Flash Point 206.5 °C
Transport Information
Appearance
Safety 26-36/37
Risk Codes 22-36-43
Molecular Structure
Hazard Symbols Xn
Synonyms Pyrimidine,4,5-diamino-2-chloro- (8CI);2-Chloro-4,5-diaminopyrimidine;4,5-Diamino-2-chloropyrimidine;NSC 45754;
PSA 77.82000
LogP 1.45680

2-Chloropyrimidine-4,5-diamine Specification

This chemical is called 4,5-Pyrimidinediamine, 2-chloro-, and its systematic name is 2-Chloropyrimidine-4,5-diamine. With the molecular formula of C₄H₅ClN₄, its molecular weight is 144.56. The CAS registry number of this chemical is 14631-08-4.

Other characteristics of the 4,5-Pyrimidinediamine, 2-chloro- can be summarised as followings: (1)ACD/LogP: -1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.81; (4)ACD/LogD (pH 7.4): -1.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.46; (8)ACD/KOC (pH 7.4): 2.48; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.26 Å²; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 35.8 cm³; (15)Molar Volume: 92.3 cm³; (16)Polarizability: 14.19×10^-24cm³; (17)Surface Tension: 88.1 dyne/cm; (18)Density: 1.564 g/cm³; (19)Flash Point: 206.5 °C; (20)Enthalpy of Vaporization: 67.13 kJ/mol; (21)Boiling Point: 417.9 °C at 760 mmHg; (22)Vapour Pressure: 3.43E-07 mmHg at 25°C.

Uses of this chemical: The 4,5-Pyrimidinediamine, 2-chloro- could react with glyoxal, and obtain the 2-chloro-pteridine. This reaction needs the solvent of toluene, H₂O. The yield is 98 %. In addition, this reaction should be taken for 15 minutes at the temperature of 80 °C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1nc(N)c(N)cn1
2.InChI: InChI=1/C4H5ClN4/c5-4-8-1-2(6)3(7)9-4/h1H,6H2,(H2,7,8,9)
3.InChIKey: QDUJVEOOSNUDDW-UHFFFAOYAX

Product Name

2-CHLORO-4,5-DIAMINOPYRIMIDINE

2-Chloropyrimidine-4,5-diamine Specification

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