2,5-Dichloropyrimidine Chemical Properties

Melting point:

48-55 °C

Boiling point:

190°C

Density 

1.493

Flash point:

140°C

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

pka

-2.84±0.22(Predicted)

form 

Powder

color 

Off-white

Water Solubility 

Slightly soluble in water.

λmax

268nm(EtOH)(lit.)

InChI

InChI=1S/C4H2Cl2N2/c5-3-1-7-4(6)8-2-3/h1-2H

InChIKey

CEJAHXLRNZJPQH-UHFFFAOYSA-N

SMILES

C1(Cl)=NC=C(Cl)C=N1

CAS DataBase Reference

22536-67-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

C,N,Xn

Risk Statements 

22-41-50

Safety Statements 

26-39-61

RIDADR 

UN 3077 9/PG 3

WGK Germany 

2

HazardClass 

LACHRYMATOR, CORROSIVE

HazardClass 

9

PackingGroup 

Ⅲ

HS Code 

29335990

2,5-Dichloropyrimidine Usage And Synthesis

Uses

2,5-Dichloropyrimidine acid is employed as a important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.

Preparation

2,5-Dichloropyrimidine was synthesised from 2-hydroxypyrimidine hydrochloride by treatment with aqueous chlorine solution. Reaction of the product with phosphoryl chloride in the presence of N,N-dimethylaniline gave the desired product in 40% yield. The sample was then purified by sublimation.

storage

Store in cool, dry place in tightly closed container. With adequate ventilation. Store away from oxidizing agent.

structure and hydrogen bonding

C₄H₂Cl₂N₂, M=148.98 monoclinic, space group P2_1/m with a=6.077(3), b=19.771(8), c=7.399(3) ?, β=101.23(6)°, U=872 ?³ [from 2θ values of 29 reflections measured at±ω, 25 ≤2θ ≤ 38°, λ = 0.710 73?, T=150.0 K], D_calc=1.702 g cm^-3, Z=6, μ =0.993 mm-1[1].

References

[1] Blake A, et al. Structure Analysis Restrained by ab Initio Calculations: The Molecular Structure of 2,5-Dichloropyrimidine in Gaseous and Crystalline Phases. The Journal of Physical Chemistry, 1996; 100: 12280–12287.

2,5-Dichloropyrimidine(22536-67-0)Related Product Information

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