Basic information
- Name:
Pyrimidine,5-bromo-2-methoxy-
- Superlist Name:
- 5-Bromo-2-methoxypyrimidine
- CAS No.:
14001-66-2
- Molecular Structure:
- Formula:
- C5H5BrN2O
- Molecular Weight:
- 189.01
- Synonyms:
- 2-Methoxy-5-bromopyrimidine;Pyrimidine, 5-bromo-2-methoxy-;2-Methoxy-5-bromopyrimidine;
- Density:
- 1.628 g/cm3
- Melting Point:
- 55.5-59.5 °C(lit.)
- Boiling Point:
- 259.8 °C at 760 mmHg
- Flash Point:
- 110.9 °C
- Hazard Symbols:
Xn,
Xi- Risk Codes:
- 22-43
- Safety Description:
- 37/39 Details
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Specification
The 5-Bromo-2-methoxypyrimidine, with the CAS registry number 14001-66-2, has the systematic name of 5-bromo-2-methoxypyrimidine. It belongs to the following product categories: Pyrimidine; Alkoxy; Organohalides; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines. And the molecular formula of this chemical is C5H5BrN2O.
The physical properties of 5-Bromo-2-methoxypyrimidine are as following: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.34; (6)ACD/BCF (pH 7.4): 3.34; (7)ACD/KOC (pH 5.5): 82.44; (8)ACD/KOC (pH 7.4): 82.44; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 36.8 cm3; (15)Molar Volume: 116 cm3; (16)Polarizability: 14.59×10-24cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.628 g/cm3; (19)Flash Point: 110.9 °C; (20)Enthalpy of Vaporization: 47.74 kJ/mol; (21)Boiling Point: 259.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0205 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful if swallowed and may cause sensitization by skin contact. Therefore, you had better wear suitablegloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1ncc(cn1)Br
(2)InChI: InChI=1/C5H5BrN2O/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3
(3)InChIKey: DWVCZDMMGYIULX-UHFFFAOYAR
