4-Amino-6-chloro-5-pyrimidinol supplier

Name
5-Pyrimidinol, 4-amino-6-chloro- (9CI)
EINECS
CAS No. 38953-42-3
Article Data7
CAS DataBase
Density 1.643 g/cm³
Solubility
Melting Point
Formula C₄H₄ClN₃O
Boiling Point 312.5 °C at 760 mmHg
Molecular Weight 145.548
Flash Point 142.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Pyrimidinol, 4-amino-6-chloro- (9CI);4-Amino-6-chloro-5-pyrimidinol;4-aMino-6-chloropyriMidin-5-ol;4-chloro-5-hydroxy-6-aMinopyriMidine
PSA 72.03000
LogP 0.99900

4-Amino-6-chloro-5-pyrimidinol Specification

The 4-Amino-6-chloro-5-pyrimidinol, with the CAS registry number 38953-42-3, is also known as 5-Pyrimidinol, 4-amino-6-chloro- (9CI). Its molecular formula is C₄H₄ClN₃O and its systematic name is 4-amino-6-chloropyrimidin-5-ol. Additionally, its product category is Pyrimidine.

Other characteristics of the 4-Amino-6-chloro-5-pyrimidinol can be summarised as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32 ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.04; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 72.03 Å²; (12)Index of Refraction: 1.679; (13)Molar Refractivity: 33.44 cm³; (14)Molar Volume: 88.5 cm³; (15)Polarizability: 13.25×10^-24cm³; (16)Surface Tension: 89.4 dyne/cm; (17)Density: 1.643 g/cm³; (18)Flash Point: 142.8 °C; (19)Enthalpy of Vaporization: 57.56 kJ/mol; (20)Boiling Point: 312.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000287 mmHg at 25°C.

Uses of the 4-Amino-6-chloro-5-pyrimidinol: It could react with 2-bromo-cyclohexane-1,3-dione to obtain the 4-chloro-7,8-dihydro-6H,9H-10-oxa-1,3,9-triaza-anthracen-5-one. This reaction needs the reagent of NaH, and the solvent of dimethylformamide. The yield is 59 %. In addition, this reaction should be taken for 12 hours at the temperature of 55-63 °C. The type of reaction is cyclization.

the 4-Amino-6-chloro-5-pyrimidinol could react with 2-bromo-cyclohexane-1,3-dione to obtain the 4-chloro-7,8-dihydro-6H,9H-10-oxa-1,3,9-triaza-anthracen-5-one.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ncnc(N)c1O
2.InChI: InChI=1/C4H4ClN3O/c5-3-2(9)4(6)8-1-7-3/h1,9H,(H2,6,7,8)
3.InChIKey: PLOZXUFHBRJLFX-UHFFFAOYAP

Product Name

5-Pyrimidinol, 4-amino-6-chloro- (9CI)

4-Amino-6-chloro-5-pyrimidinol Specification

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