5-Chlorouracil

Basic Information

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CAS Number

1820-81-1

Molecular Formula

C4H3ClN2O2

Molecular Weight

146.53 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

>300 °C

Boiling Point

413.6 °C at 760 mmHg

Flash Point

203.9 °C

Solubility

1 M NH4OH: soluble50mg/mL

Refractive Index

1.6550 (estimate)

SMILES

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

InChI

InChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)

InChIKey

ZFTBZKVVGZNMJR-UHFFFAOYSA-N

LogP

-0.2834000000000001

Topological Polar Surface Area

65.72 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

199

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H341 Suspected of causing genetic defects
Germ cell mutagenicity

Synonyms & References

English

CHEMBL144082
NSC-28172
5-Chlorouracil, ReagentPlus(R), 99%
NS00045646
W-107804
5-Chloro-2,4(1H,3H)-pyrimidinedione #
EINECS 217-339-7
164415-64-9
4(3H)-Pyrimidinone, 5-chloro-2-hydroxy- (9CI)
FT-0604354
Uracil, 5-chloro-
AKOS003242135
AC-8694
InChI=1/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9
HY-I0959
5UC
SB57723
5-Chloro-2,4-dihydroxypyrimidine
2,4(1H,3H)-Pyrimidinedione, 5-chloro-
AI3-26560
5-chloropyrimidine-2,4(1H,3H)-dione
AKOS003093906
EN300-96343
Z1203730752
AM83916
DTXSID7075137
SCHEMBL42227
CS-0010970
AS-10925
NCI60_002298
Fluorouracil Impurity E

MDL Number

MFCD00006019

Customs Code

29335995

FAQ

What is 5-Chlorouracil (CAS: 1820-81-1)?

5-Chlorouracil is a chlorinated pyrimidine derivative with the chemical formula C4H3ClN2O2. It appears as a white crystalline powder and is known for its stability under normal conditions. This compound is widely used as a building block in pharmaceutical research, particularly in the development of antiviral and anticancer drugs due to its structural similarity to uracil.

What are the main uses of 5-Chlorouracil (CAS: 1820-81-1)?

5-Chlorouracil serves as a key intermediate in the synthesis of various pharmaceutical compounds, including antiviral agents and chemotherapy drugs. It is also utilized in research for studying nucleic acid metabolism and in industrial applications for producing agrochemicals and dyes. Its versatility makes it relevant in drug development and chemical synthesis processes.

Is 5-Chlorouracil (CAS: 1820-81-1) safe?

5-Chlorouracil is classified as a hazardous chemical and requires careful handling. It may cause skin and eye irritation, and its vapors can be harmful if inhaled. Safety standards emphasize the use of personal protective equipment (PPE) and proper ventilation. Handling should follow OSHA and EPA guidelines to minimize exposure risks in laboratories and industrial settings.

How should 5-Chlorouracil (CAS: 1820-81-1) be stored?

5-Chlorouracil should be stored in a cool, dry place away from light, ideally at 2-8°C. It requires airtight containers to prevent moisture absorption and maintain stability. Avoid exposure to incompatible substances like strong oxidizers. Proper storage ensures safety and prolongs the compound's shelf life in research and industrial applications.