4-Chloro-2,6-diaminopyrimidine
Synonym(s):4-Chloro-2,6-diaminopyrimidine
- CAS NO.:156-83-2
- Empirical Formula: C4H5ClN4
- Molecular Weight: 144.56
- MDL number: MFCD00006097
- EINECS: 205-863-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-09-29 20:12:18
What is 4-Chloro-2,6-diaminopyrimidine?
Chemical properties
White Cyrstalline Solid
The Uses of 4-Chloro-2,6-diaminopyrimidine
Melamine and Related Compounds in Dog Food Using GC-MS
Definition
ChEBI: 6-chloro-2,4-pyrimidinediamine (4-Chloro-2,6-diaminopyrimidine) is a member of pyrimidines and an organohalogen compound.
Synthesis
2,4-Diamino-6-hydroxypyrimidine (1.00 g, 7.93 mmol) was added to POCl3 (9 mL) and stirred at 97 ℃ for 17 h. The reaction solution was added to ice water slowly and then stirred at 90 C for 1 h. The pH of this solution was adjusted to 8 with NaOH, and then it was extracted with EtOAC (150 mL 3). The combined organic layers were dried with Na2SO4, filtered, and concentrated to give white solid 4-Chloro-2,6-diaminopyrimidine 0.97 g, yielding 85%.
Purification Methods
It recrystallises from boiling H2O (charcoal) as needles; it also crystallises from Me2CO. [Büttner Chem Ber 36 2232 1903, Roth J Am Chem Soc 72 1914 1950, UV: Brown & Jacobsen J Chem Soc 3172 1962, Beilstein 24 H 318, 25 III/IV 2788.]
Properties of 4-Chloro-2,6-diaminopyrimidine
Melting point: | 199-202 °C(lit.) |
Boiling point: | 199-202 °C |
Density | 1.3966 (rough estimate) |
vapor pressure | 0.0±1.1 mmHg at 25°C |
refractive index | 1.702 |
Flash point: | 218.9±29.6 °C |
storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
solubility | slightly soluble |
form | Solid |
pka | 3.66±0.10(Predicted) |
color | White to Pale Yellow |
Water Solubility | slightly soluble |
BRN | 118455 |
InChI | InChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9) |
CAS DataBase Reference | 156-83-2(CAS DataBase Reference) |
NIST Chemistry Reference | Pyrimidine, 6-chloro-2,4-diamino-(156-83-2) |
Safety information for 4-Chloro-2,6-diaminopyrimidine
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Chloro-2,6-diaminopyrimidine
InChIKey | QJIUMVUZDYPQRT-UHFFFAOYSA-N |
SMILES | C1(N)=NC(Cl)=CC(N)=N1 |
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