ChemicalBook--->CAS DataBase List--->5413-85-4

5413-85-4

5413-85-4 Structure

5413-85-4 Structure
IdentificationMore
[Name]

5-Amino-4,6-dichloropyrimidine
[CAS]

5413-85-4
[Synonyms]

4,6-DICHLORO-5-PYRIMIDINAMINE
4,6-DICHLOROPYRIMIDIN-5-AMINE
4,6-DICHLOROPYRIMIDIN-5-YLAMINE
5-AMINO-4,6-DICHLOROPYFIMIDINE
5-AMINO-4,6-DICHLOROPYRIMIDINE
5-PYRIMIDINAMINE, 4,6-DICHLORO-
AKOS 91433
TIMTEC-BB SBB003920
4,6-Dichloro-5-aminopyrimidine
4,6-dichloro-5-pyrimidinamin
Pyrimidine, 5-amino-4,6-dichloro-
5-AMINO-4,6-DICHLORPYRIMIDIN 97%
5-Amino-4,6-dichloro
5-amine-4,6-dichloropyrimidine
5-Amino-4,6-dichloropyrimidine, 98+%
[EINECS(EC#)]

226-503-7
[Molecular Formula]

C4H3Cl2N3
[MDL Number]

MFCD00006108
[Molecular Weight]

163.99
[MOL File]

5413-85-4.mol
Chemical PropertiesBack Directory
[Appearance]

Yellowish-brown crystals or powder
[Melting point ]

145-148 °C (lit.)
[Boiling point ]

270.44°C (rough estimate)
[density ]

1.6662 (rough estimate)
[refractive index ]

1.6300 (estimate)
[storage temp. ]

2-8°C
[solubility ]

slightly soluble
[form ]

Crystals or Powder
[pka]

-3.01±0.26(Predicted)
[color ]

Yellow-brown
[Water Solubility ]

slightly soluble
[Sensitive ]

Moisture Sensitive
[BRN ]

126885
[InChIKey]

NIGDWBHWHVHOAD-UHFFFAOYSA-N
[CAS DataBase Reference]

5413-85-4(CAS DataBase Reference)
[NIST Chemistry Reference]

5-Amino-4,6-dichloropyrimidine(5413-85-4)
[EPA Substance Registry System]

5413-85-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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 .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[F ]

10-21
[TSCA ]

Yes
[HS Code ]

29335900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Nitric acid-->Phosphorus oxychloride-->Hexane-->Trifluoroacetic acid-->Stannous chloride dihydrate-->N,N-Diisopropylethylamine-->4,6-Dihydroxypyrimidine
[Preparation Products]

4,5-Diaminopyrimidine-->5-Pyrimidinamine, 1,4,5,6-tetrahydro--->2-(5-AMINO-6-CHLORO-PYRIMIDIN-4-YLAMINO)-ETHANOL-->6-CHLORO-N4-(4-CHLOROPHENYL)-4,5-PYRIMIDINEDIAMINE-->4-(5-AMINO-6-CHLORO-4-PYRIMIDINYL)-1-PIPERAZINECARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER-->6-chloro-N4-ethylpyrimidine-4,5-diamine-->(R)-1-((5-aMino-6-chloropyriMidin-4-yl)aMino)propan-2-ol-->4-CHLORO-6-HYDRAZINO-PYRIMIDIN-5-YLAMINE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Amino-4,6-dichloropyrimidine(5413-85-4).msds
Hazard InformationBack Directory
[Chemical Properties]

Yellowish-brown crystals or powder
[Uses]

5-Amino-4,6-dichloropyrimidine was used in the synthesis of:
  • oxepane ring containing monocyclic, conformationally restricted bicyclic and spirocyclic nucleosides
  • conformationally locked bicyclo[2.2.1]heptane/oxa-bicyclo[3.2.1]octane nucleosides
  • N(7)-substituted purines
  • chiral derivatives of (+)-erythro-9-(2-hydroxy-3-nonyl)adenine
  • 9-alkyl-6-substituted-purine analogs, potent anticonvulsant agents
  • pyrimido-oxazepines in a three-step process with microwave heating at 150°C
[Uses]

An intermediate in the production of many biological inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Amino-4,6-dichloropyrimidine(5413-85-4)MS
5-Amino-4,6-dichloropyrimidine(5413-85-4)1HNMR
5-Amino-4,6-dichloropyrimidine(5413-85-4)13CNMR
5-Amino-4,6-dichloropyrimidine(5413-85-4)IR1
5-Amino-4,6-dichloropyrimidine(5413-85-4)IR2
5-Amino-4,6-dichloropyrimidine(5413-85-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Amino-4,6-dichloropyrimidine, 97%(5413-85-4)
[Alfa Aesar]

5-Amino-4,6-dichloropyrimidine, 98+%(5413-85-4)
[Sigma Aldrich]

5413-85-4(sigmaaldrich)
[TCI AMERICA]

5-Amino-4,6-dichloropyrimidine,>98.0%(N)(5413-85-4)
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