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HomeProduct name list4-Chloro-2,6-diaminopyrimidine

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
4-Chloro-2,6-diaminopyrimidine Structural

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%.
4-Chloro-2,6-diaminopyrimidine

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)
ghs
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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