4-Amino-5-bromo-2-chloropyrimidine supplier

Name
4-Amino-5-bromo-2-chloropyrimidine
EINECS
CAS No. 205672-25-9
Article Data18
CAS DataBase
Density 1.96 g/cm³
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
Appearance
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;
PSA 51.80000
LogP 2.05590

4-Amino-5-bromo-2-chloropyrimidine Specification

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

Product Name

4-Amino-5-bromo-2-chloropyrimidine

4-Amino-5-bromo-2-chloropyrimidine Specification

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