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217735

5-Amino-4,6-dichloropyrimidine

97%

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About This Item

Empirical Formula (Hill Notation):
C4H3Cl2N3
CAS Number:
5413-85-4
Molecular Weight:
163.99
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24853030
EC Number:
226-503-7
Beilstein/REAXYS Number:
126885
MDL number:
MFCD00006108
Assay:
97%
Form:
liquid
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Quality Segment

100

assay

97%

form

liquid

mp

145-148 °C (lit.)

solubility

95% ethanol: soluble 50 mg/mL, clear to slightly hazy, colorless to faintly yellow

functional group

chloro

storage temp.

2-8°C

SMILES string

Nc1c(Cl)ncnc1Cl

InChI

1S/C4H3Cl2N3/c5-3-2(7)4(6)9-1-8-3/h1H,7H2

InChI key

NIGDWBHWHVHOAD-UHFFFAOYSA-N

Application

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

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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