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Merck
CN

387800

5-Chloro-2,4,6-trifluoropyrimidine

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About This Item

Empirical Formula (Hill Notation):
C4ClF3N2
CAS Number:
697-83-6
Molecular Weight:
168.50
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24864189
EC Number:
211-807-4
Beilstein/REAXYS Number:
610168
MDL number:
MFCD00191933
Assay:
99%

Key Documents

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assay

99%

InChI key

GOYNRDSJTYLXBU-UHFFFAOYSA-N

InChI

1S/C4ClF3N2/c5-1-2(6)9-4(8)10-3(1)7

SMILES string

Fc1nc(F)c(Cl)c(F)n1

refractive index

n20/D 1.439 (lit.)

bp

116 °C (lit.)

density

1.626 g/mL at 25 °C (lit.)

Application

5-Chloro-2,4,6-trifluoropyrimidine can be used as a starting material to synthesize:
  • 4-azido-5-chloro-2,6-difluoro-pyrimidine by azidation reaction with sodium azide.
  • 5-chloro triphenoxy pyrimidine by reacting with tetraphenoxysilane in the presence of tetra butyl ammonium fluoride (TBAF).
  • 5-chloro-2,6-difluoropyrimidin-4-amine, and 5-chloro-4,6-difluoropyrimidin-2-amine (9:1 ratio) by reacting with ammonia.
  • 5-Chloro-N,N -diethyl-2,6-dipyrimidin-4-amine, by treating with diethylamine and DIPEA.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
08629TE
09217DQ
11514PY
03719MO
03619JU

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Studies in azide chemistry. Part IX [1]. Investigations involving fluorinated azidopyrimidines and 4-azido-3-chloro-2, 5, 6-trifluoropyridine
Banks RE, et al.
Journal of Fluorine Chemistry, 16(4), 325-338 (1980)
An efficient strategy for the synthesis of aryl ethers
Wang T and Love JA
Synthesis, 2007(15), 2237-2239 (2007)

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