Methyl 4-amino-2-chloropyrimidine-5-carboxylate supplier

Name
4-amino-2-chloro-pyrimidine-5-carboxylic acid methyl ester
EINECS
CAS No. 858269-13-3
Density 1.465 g/cm³
Solubility
Melting Point 159-161 °C
Formula C₆H₆ClN₃O₂
Boiling Point 371.87 °C at 760 mmHg
Molecular Weight 187.58
Flash Point 178.701 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms QC-5722;methyl4-amino-2-chloropyrimidine-5-carboxylate;
PSA 78.10000
LogP 1.08000

Methyl 4-amino-2-chloropyrimidine-5-carboxylate Specification

The IUPAC name of this chemical is Methyl 4-amino-2-chloropyrimidine-5-carboxylate. The CAS registry number is 858269-13-3. In addition, the molecular formula is C₆H₆ClN₃O₂ and the molecular weight is 187.58. It should be stored in a cool and dry place.

Physical properties about Methyl 4-amino-2-chloropyrimidine-5-carboxylate are: (1)ACD/LogP: 0.87; (2)ACD/LogD (pH 5.5): 0.872; (3)ACD/LogD (pH 7.4): 0.872; (4)ACD/BCF (pH 5.5): 2.707; (5)ACD/BCF (pH 7.4): 2.707; (6)ACD/KOC (pH 5.5): 70.994; (7)ACD/KOC (pH 7.4): 70.994; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 78.1 Å²; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 43.34 cm³; (14)Molar Volume: 128.005 cm³; (15)Polarizability: 17.181 ×10^-24cm³; (16)Surface Tension: 64.049 dyne/cm; (17)Density: 1.465 g/cm³; (18)Flash Point: 178.701 °C; (19)Enthalpy of Vaporization: 61.894 kJ/mol; (20)Boiling Point: 371.87 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cnc(nc1N)Cl
(2)InChI: InChI=1/C6H6ClN3O2/c1-12-5(11)3-2-9-6(7)10-4(3)8/h2H,1H3,(H2,8,9,10)
(3)InChIKey: VAMYEORYRWNWDD-UHFFFAOYAH

Product Name

4-amino-2-chloro-pyrimidine-5-carboxylic acid methyl ester

Methyl 4-amino-2-chloropyrimidine-5-carboxylate Specification

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