Name: 2,4-Dichloro-5-methoxypyrimidine
SKU: 19646-07-2

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Basic Information

Molecular Structure:
CAS No.:	19646-07-2
Name:	2,4-Dichloro-5-methoxypyrimidine
Article Data:	11

Formula:	C₅H₄Cl₂N₂O
Molecular Weight:	179.006
Synonyms:	5-Methoxy-2,4-dichloropyrimidine pyrimidine;
EINECS:	628-558-6
Density:	1.446 g/cm³
Melting Point:	68 °C
Boiling Point:	259.9 °C at 760 mmHg
Flash Point:	111 °C
Solubility:	Slightly soluble in water.
Appearance:	white or slight yellow solid
Hazard Symbols:	Xi,Xn,C
Risk Codes:	22-37/38-41
Safety:	26-39
PSA:	35.01000
LogP:	1.79200

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Specification

The IUPAC name of 2,4-Dichloro-5-methoxypyrimidine is 2,4-dichloro-5-methoxypyrimidine. With the CAS registry number 19646-07-2, it is also named as 5-Methoxy-2,4-dichloropyrimidine pyrimidine. The product's categories are APIs & Intermediate; Pyrimidine; Pyridines, Pyrimidines, Purines and Pteredines; Building Blocks; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines; Pyrimidines Heterocyclic Building Blocks. Besides, it is used as a pharmaceutical intermediate. In addition, its molecular formula is C₅H₄Cl₂N₂O and molecular weight is 179.00.

The other characteristics of 2,4-Dichloro-5-methoxypyrimidine can be summarized as: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.51; (6)ACD/BCF (pH 7.4): 3.51; (7)ACD/KOC (pH 5.5): 85.53; (8)ACD/KOC (pH 7.4): 85.53; (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: 1.541; (14)Molar Refractivity: 38.9 cm³; (15)Molar Volume: 123.7 cm³; (16)Polarizability: 15.42×10^-24cm³; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.446 g/cm³; (19)Melting Point: 68 °C; (20)Flash Point: 111 °C; (21)Enthalpy of Vaporization: 47.75 kJ/mol; (22)Boiling Point: 259.9 °C at 760 mmHg; (23)Vapour Pressure: 0.0204 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. It is also irritating to respiratory system and skin and risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear eye / face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1nc(Cl)ncc1OC
(2)InChI: InChI=1/C5H4Cl2N2O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3
(3)InChIKey: ZTHHRSBDBPCCMZ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H4Cl2N2O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3
(5)Std. InChIKey: ZTHHRSBDBPCCMZ-UHFFFAOYSA-N