CAS No.205672-19-1,4-BENZYLOXY-5-BROMO-2-CHLOROPYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	205672-19-1
Name:	4-BENZYLOXY-5-BROMO-2-CHLOROPYRIMIDINE
Article Data:	1

Formula:	C₁₁H₈BrClN₂O
Molecular Weight:	299.554
Synonyms:	5-Bromo-2-chloro-4-(phenylmethoxy)pyrimidine;
Density:	1.587 g/cm³
Melting Point:	114-116 °C
Boiling Point:	431.303 °C at 760 mmHg
Flash Point:	214.645 °C
PSA:	35.01000
LogP:	3.47150

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Specification

The Pyrimidine, 5-bromo-2-chloro-4-(phenylmethoxy)-, with the CAS registry number 205672-19-1, is also known as 5-Bromo-2-chloro-4-(phenylmethoxy)pyrimidine. It belongs to the product categories of Pyrimidine; Pyrimidines. This chemical's molecular formula is C₁₁H₈BrClN₂O and molecular weight is 299.55. What's more, its systematic name is called 4-(Benzyloxy)-5-bromo-2-chloropyrimidine. You should keep it in a airtight,cold and dry place.

Physical properties about Pyrimidine, 5-bromo-2-chloro-4-(phenylmethoxy)- are: (1) ACD/LogP: 2.66; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2; (4) ACD/LogD (pH 7.4): 2; (5) ACD/BCF (pH 5.5): 47; (6) ACD/BCF (pH 7.4): 47; (7) ACD/KOC (pH 5.5): 547; (8) ACD/KOC (pH 7.4): 547; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 35.01 Å²; (13) Index of Refraction: 1.619; (14) Molar Refractivity: 66.187 cm³; (15) Molar Volume: 188.72 cm³; (16) Surface Tension: 53.648 dyne/cm; (17) Density: 1.587 g/cm³; (18) Flash Point: 214.645 °C; (19) Enthalpy of Vaporization: 66.036 kJ/mol; (20) Boiling Point: 431.303 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C; (22) Melting Point: 114-116 °C.

Preparation of Pyrimidine, 5-bromo-2-chloro-4-(phenylmethoxy)-: this chemical can be prepared by 5-Bromo-2,4-dichloro-pyrimidine with Phenylmethanol; sodium salt. This reaction needs reagent Toluene at ambient temperature. The yield is 54 %.

Uses of Pyrimidine, 5-bromo-2-chloro-4-(phenylmethoxy)-: it is used to produce other chemicals. For example, it is used to produce 2-Dimethylamino-4-benzyloxy-5-bromopyrimidine. The reaction occurs with reagent Methanol and other condition of heating for 2 hours. The yield is 84 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2nc(OCc1ccccc1)c(Br)cn2
(2) InChI: InChI=1/C11H8BrClN2O/c12-9-6-14-11(13)15-10(9)16-7-8-4-2-1-3-5-8/h1-6H,7H2
(3) InChIKey: PFOACTPILUWRCT-UHFFFAOYAI