4,6-Dichloro-5-fluoropyrimidine

Basic Information

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CAS Number

213265-83-9

Molecular Formula

C4HCl2FN2

Molecular Weight

166.97 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

Boiling Point

227°C at 760 mmHg

Water Solubility

Slightly soluble in water.

Flash Point

91.1℃

SMILES

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

InChI

InChI=1S/C4HCl2FN2/c5-3-2(7)4(6)9-1-8-3/h1H

InChIKey

DGMIGAHDDPJOPN-UHFFFAOYSA-N

LogP

1.9224999999999999

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

92.6

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

GS-6770
DTXSID80461170
MFCD08056331
AM20090184
W-201871
SY009095
AC-1077
BL008438
4,6-dichloro-5-fluoro-pyrimidine
CS-W007992
PYRIMIDINE, 4,6-DICHLORO-5-FLUORO-
DGMIGAHDDPJOPN-UHFFFAOYSA-N
BCP9000136
SCHEMBL83934
FT-0649190
4,6-Dichloro-5-fluoropyrimidine
PB18840
BCP22840
A4598
Z1198175235
213265-83-9
AKOS005258658
EN300-107313
4,6-Dichloro-5-fluoro-pyrimidine
4,6-Dichloro-5-fluoro-1,3-diazine
PYRIMIDINE,4,6-DICHLORO-5-FLUORO
4,6-dichloro-5-fluoropyrimidine

MDL Number

MFCD08056331

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4,6-Dichloro-5-fluoropyrimidine (CAS: 213265-83-9)?

4,6-Dichloro-5-fluoropyrimidine is a white crystalline solid with a molecular weight of approximately 217.03 g/mol. It has a solubility in water of about 11 mg/L and is highly reactive with nucleophiles. The compound is stable under normal conditions but should be protected from moisture and strong bases. It is insoluble in water but soluble in common organic solvents like ethanol and dichloromethane.

How is 4,6-Dichloro-5-fluoropyrimidine (CAS: 213265-83-9) typically synthesized?

4,6-Dichloro-5-fluoropyrimidine is typically synthesized via the reaction of 5-fluorouracil with chloracetyl chloride in the presence of a base such as sodium hydroxide. The reaction yields a mixture rich in 4,6-dichloro-5-fluoropyrimidine with a high degree of selectivity. The yield is typically around 80-90%, and the method uses common laboratory equipment and standard techniques.

What industries use 4,6-Dichloro-5-fluoropyrimidine (CAS: 213265-83-9)?

4,6-Dichloro-5-fluoropyrimidine is primarily used in the pharmaceutical industry, particularly in the synthesis of antitumor drugs. It is also used in the production of herbicides and in some analytical chemistry applications. Its use in polymers and semiconductors is limited but under exploration due to its unique chemical properties.

What precautions should be taken when handling 4,6-Dichloro-5-fluoropyrimidine (CAS: 213265-83-9)?

When handling 4,6-Dichloro-5-fluoropyrimidine, it is crucial to use personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store the compound in a cool, dry place, away from moisture and strong bases. Always handle in a well-ventilated fume hood to minimize exposure. In case of a spill, immediately clean up with appropriate absorbents and follow the safety data sheet (SDS) for disposal instructions.