2-Chloro-5-fluoropyrimidine

Basic Information

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CAS Number

62802-42-0

Molecular Formula

C4H2ClFN2

Molecular Weight

132.53 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Physical State

Colorless to Yellow Liquid

Boiling Point

94°C/75mmHg

Density

1.439 g/mL at 20 °C

Refractive Index

n20/D 1.503(lit.)

SMILES

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C1=C(C=NC(=N1)Cl)F

InChI

InChI=1S/C4H2ClFN2/c5-4-7-1-3(6)2-8-4/h1-2H

InChIKey

AGYUQBNABXVWMS-UHFFFAOYSA-N

LogP

1.2691

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

72.4

Safety Information

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Hazard Statement

Hazard Class

Class 8 Class 8

Synonyms & References

English

SY011543
KK43K2RZ9W
W-203337
AKOS005263912
2-Chloro-5-fluoro pyrimidine
MFCD03788197
2-Chloro-5-fluoro-pyrimidine
SCHEMBL152737
5-Fluoro-2-chloropyrimidine
AC-9759
FT-0600948
2-chloro-5-fluoropyrimidine;2-CHLORO-5-FLUORO-PYRIMIDINE
PB15753
EN300-101688
CS-D1783
AM20100538
Z1255465697
2-Chloro-5-fluoropyrimidine
2-Chloro-5-fluoropyrimidine #
2-Chloro-5-fluoropyrimidine, 97%
62802-42-0
GS-6874
PYRIMIDINE, 2-CHLORO-5-FLUORO-
F0001-1694
A8677
BP-13191
C2546
DTXSID20342636
2-chloro-5fluoro-pyrimidine
Pyrimidine, 2-chloro-5-fluoro-
C4H2ClFN2

MDL Number

MFCD03788197

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 2-Chloro-5-fluoropyrimidine (CAS: 62802-42-0)?

2-Chloro-5-fluoropyrimidine is a white to off-white crystalline solid with a molecular weight of approximately 166.01 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. The compound shows moderate reactivity towards nucleophiles and is prone to substitution reactions. It has a melting point of around 120-125°C and decomposes above 150°C.

How is 2-Chloro-5-fluoropyrimidine (CAS: 62802-42-0) typically synthesized?

2-Chloro-5-fluoropyrimidine can be synthesized via alkylation of 5-bromo-2-chloropyrimidine with 9-fluorenylmethyl chloroformate followed by fluoride attack using potassium fluoride. This method provides good yield and control over the fluorine substitution. Other routes involve the use of trifluoromethylation of 2-chloropyrimidine derivatives.

What industries use 2-Chloro-5-fluoropyrimidine (CAS: 62802-42-0)?

2-Chloro-5-fluoropyrimidine finds application in the pharmaceutical industry as an intermediate for drug synthesis. It is also used in the development of organic semiconductors and as a reagent in polymer chemistry for its unique electronic properties. Additionally, it is explored in the sensor technology sector for specific chemical detection capabilities.

What precautions should be taken when handling 2-Chloro-5-fluoropyrimidine (CAS: 62802-42-0)?

When handling 2-Chloro-5-fluoropyrimidine, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be cleaned up using spill kits and decontamination solutions. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.