| Identification | More | [Name]
4-Chloro-2,6-diaminopyrimidine | [CAS]
156-83-2 | [Synonyms]
2,4-DIAMINO-6-CHLOROPYRIMIDINE
2,6-DIAMINO-4-CHLORO PYRIMIDINE
2-AMINO-6-CHLORO-4-PYRIMIDINYLAMINE
4-CHLORO-2,6-DIAMINOPYRIMIDINE
6-CHLORO-2,4-DIAMINOPYRIMIDINE
6-CHLORO-PYRIMIDINE-2,4-DIAMINE
6-CHLORO-PYRIMIDINE-2,4-DIYLDIAMINE
TIMTEC-BB SBB004123
2,4-Pyrimidinediamine, 6-chloro-
2,4-Pyrimidinediamine,6-chloro-
4-Chloro-2,6-pyrimidinediamine
6-Chlor-2,4-diaminopyrimidin(4-2,6)
6-Chloro-2,4-pyrimidinediamine
6-chloro-4-pyrimidinediamine
Pyrimidine,2,4-diamino-6-chloro-
2,4-Diamino-6-Chloro Pyridine
4-Chloro-2-6-Diaminopyrimide
2,4-Diamino-6-chloropyrimidine, 99+%
2,4-Pyrimidinediamine, 6-chloro-(9CI)
6-Chloro-pyrimidine-2,4-diyldiamine, 4-Chloro-2,6-diaminopyrimidine | [EINECS(EC#)]
205-863-9 | [Molecular Formula]
C4H5ClN4 | [MDL Number]
MFCD00006097 | [Molecular Weight]
144.56 | [MOL File]
156-83-2.mol |
| Chemical Properties | Back Directory | [Appearance]
White Cyrstalline Solid | [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 ]
1.6010 (estimate) | [Fp ]
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 | [Detection Methods]
HPLC,GC,NMR | [BRN ]
118455 | [InChI]
InChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9) | [InChIKey]
QJIUMVUZDYPQRT-UHFFFAOYSA-N | [SMILES]
C1(N)=NC(Cl)=CC(N)=N1 | [CAS DataBase Reference]
156-83-2(CAS DataBase Reference) | [NIST Chemistry Reference]
Pyrimidine, 6-chloro-2,4-diamino-(156-83-2) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HS Code ]
29335995 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White Cyrstalline Solid | [Uses]
| [Definition]
ChEBI: 6-chloro-2,4-pyrimidinediamine 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.] | [References]
[1] Molecules, 2017, vol. 22, # 10, |
|
|