| Identification | More | [Name]
2,5-Dichloropyrimidine | [CAS]
22536-67-0 | [Synonyms]
2,5-DICHLOROPYRIMIDINE
Pyrimidine, 2,5-dichloro-(7CI,8CI,9CI)
2,5-DICHLOROPYRIMIDINE,PURITY:95% MIN(HPLC)
Pyrimidine, 2,5-dichloro- | [EINECS(EC#)]
639-415-2 | [Molecular Formula]
C4H2Cl2N2 | [MDL Number]
MFCD00673131 | [Molecular Weight]
148.98 | [MOL File]
22536-67-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
48-55 °C | [Boiling point ]
190°C | [density ]
1.493 | [Fp ]
140°C | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
Powder | [pka]
-2.84±0.22(Predicted) | [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 Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
22-41-50 | [Safety Statements ]
26-39-61 | [RIDADR ]
UN 3077 9/PG 3 | [WGK Germany ]
2 | [HazardClass ]
9 | [HazardClass ]
LACHRYMATOR, CORROSIVE | [PackingGroup ]
Ⅲ | [HS Code ]
29335990 |
| Hazard Information | Back Directory | [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 P21/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], Dcalc=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. |
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