Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Amino-5-bromo-2-chloropyrimidine |
EINECS | N/A |
CAS No. | 205672-25-9 | Density | 1.96 g/cm3 |
PSA | 51.80000 | LogP | 2.05590 |
Solubility | Slightly soluble in water. | Melting Point |
187-188 °C(Solv: acetonitrile (75-05-8)) |
Formula | C4H3BrClN3 | Boiling Point | 369.8 °C at 760 mmHg |
Molecular Weight | 208.445 | Flash Point | 177.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39-36/37/39 | Risk Codes | 22-37/38-41-36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Bromo-2-chloropyrimidin-4-ylamine; |
Article Data | 18 |
The 4-Amino-5-bromo-2-chloropyrimidine, with CAS registry number 205672-25-9, has the systematic name of 5-bromo-2-chloropyrimidin-4-amine. Besides this, it is also called 4-Pyrimidinamine, 5-bromo-2-chloro-. And the chemical formula of this chemical is C4H3BrClN3.
Physical properties of 4-Amino-5-bromo-2-chloropyrimidine: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1.06; (6)ACD/BCF (pH 7.4): 1.06; (7)ACD/KOC (pH 5.5): 36.26; (8)ACD/KOC (pH 7.4): 36.27; (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: 1.66; (14)Molar Refractivity: 39.25 cm3; (15)Molar Volume: 106.2 cm3; (16)Polarizability: 15.56×10-24cm3; (17)Surface Tension: 70.2 dyne/cm; (18)Enthalpy of Vaporization: 61.66 kJ/mol; (19)Vapour Pressure: 1.16E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(Cl)nc1N
(2)InChI: InChI=1/C4H3BrClN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9)
(3)InChIKey: QOWALNIZDHZTSM-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C4H3BrClN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9)
(5)Std. InChIKey: QOWALNIZDHZTSM-UHFFFAOYSA-N