| Identification | More | [Name]
4,6-Dichloropyrimidine | [CAS]
1193-21-1 | [Synonyms]
4,6-DICHLOROPYRIMIDINE
IFLAB-BB F2124-0077
PYRIMIDINE, 4,6-DICHLORO-
4 6-DICHLOROPYRIMIDINE 99%
4,6-Dichoropyrimidine
Pyrimidine, 4,6-dichloro-(7CI,8CI,9CI)
4,6-DIHYDROXY PYRIMIDINE 99+%
4,6-Dichloropyrimidine ,98% | [EINECS(EC#)]
214-770-2 | [Molecular Formula]
C4H2Cl2N2 | [MDL Number]
MFCD00006109 | [Molecular Weight]
148.98 | [MOL File]
1193-21-1.mol |
| Chemical Properties | Back Directory | [Appearance]
Yellow Solid | [Melting point ]
65-67 °C (lit.) | [Boiling point ]
176 °C (lit.) | [density ]
1.6445 (rough estimate) | [vapor pressure ]
30-390Pa at 20-50℃ | [refractive index ]
1.6300 (estimate) | [Fp ]
176°C | [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
95% ethanol: soluble50mg/mL, clear to very slightly hazy, colorless to yellow | [form ]
Crystals | [pka]
-4.20±0.17(Predicted) | [color ]
Yellow-green | [Detection Methods]
HPLC,NMR,GC | [BRN ]
111195 | [InChI]
1S/C4H2Cl2N2/c5-3-1-4(6)8-2-7-3/h1-2H | [InChIKey]
XJPZKYIHCLDXST-UHFFFAOYSA-N | [SMILES]
Clc1cc(Cl)ncn1 | [LogP]
1.45 at 25℃ and pH7.2 | [Surface tension]
65.72mN/m at 1g/L and 20℃ | [CAS DataBase Reference]
1193-21-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Pyrimidine, 4,6-dichloro-(1193-21-1) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS05 | [Signal word ]
Danger | [Hazard statements ]
H314 | [Precautionary statements ]
P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37:Irritating to eyes and respiratory system . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S27:Take off immediately all contaminated clothing . | [RIDADR ]
UN 3263 8/PG 2
| [WGK Germany ]
3
| [F ]
19 | [Hazard Note ]
Corrosive | [REACH Registrations]
Active | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29335900 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Skin Corr. 1B |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow Solid | [General Description]
Cyclic voltammograms of 4,6-dichloropyrimidine shows three cathodic waves, arising from sequential cleavage of carbon-chlorine bonds as well as the reduction of pyrimidine. | [Synthesis]
The synthesis of 4,6-Dichloropyrimidine is as follows:Dissolve 105.5g of 4,6-diaminopyrimidine in 660.0g of 31% hydrochloric acid and pour into a 2000ml bottle to cool to -5 ° C and dropwise add 500.3g of 33% sodium nitrite. After 2 hours of reaction, HPLC detects 4,6-diamino Pyrimidine is less than 0.5%. 42.8 g of cuprous chloride and 214.0 g of 31% hydrochloric acid are prepared in a 2000 ml bottle. The diazonium salt mother liquor is added dropwise to the bottle. After the dropwise reaction, the reaction is performed at 45 ° C for 2 hours. .Extract with 400g of recovered trichloroethane (200x2 times less than new ones), combine the organic layers for distillation, control the water flush pump 5KPa, temperature 40-140 , collect 404.2g of solvent in the early 40-90 , 90-140 in the later The product was collected at a temperature of 14 ° C to obtain 146.9 g of 4,6-dichloropyrimidine. The yield was 86.4% (based on formazan hydrochloride) and the purity was 99.4%.
 | [References]
[1] Patent: CN108395409, 2018, A. Location in patent: Paragraph 0039-0041; 0044
[2] Patent: CN105439963, 2016, A. Location in patent: Paragraph 0011
[3] Patent: CN108341784, 2018, A. Location in patent: Paragraph 0027; 0028; 0029; 0031-0033; 0039; 0040
[4] Patent: CN105732514, 2016, A. Location in patent: Paragraph 0027; 0028
[5] Patent: CN108178749, 2018, A. Location in patent: Paragraph 0027; 0028; 0030; 0032; 0034; 0036; 0038; 0040 |
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Greenway Gold
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J & K SCIENTIFIC LTD.
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https://www.jkchemical.com |
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Alfa Aesar
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