4-Amino-2-chloropyrimidine-5-carbonitrile

Basic Information

View in Editor

CAS Number

94741-69-2

Molecular Formula

C5H3ClN4

Molecular Weight

143.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

200 °C (dec.)

Flash Point

216.9℃

SMILES

View in Editor

C1=C(C(=NC(=N1)Cl)N)C#N

InChI

InChI=1S/C5H3ClN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10)

InChIKey

WDHFCSOENXEMRC-UHFFFAOYSA-N

LogP

1.02062

Topological Polar Surface Area

51.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

162

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

H315

H317

H318

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

4-Amino-2-chloro-5-pyrimidinecarbonitrile
4-Amino-2-chloropyrimidine-5-carbonitrile
5-Pyrimidinecarbonitrile, 4-amino-2-chloro-
4-Amino-2-chloro-5-pyrimidinecarbonitrile (ACI)
4-Amino-2-chloro-5-cyanopyrimidine
4-amino-2-chloro-5-pyrimidinecarbonitri?le
CHEMBL1980853
BP-10695
DB-057525
94741-69-2
J-514327
5Y-5028
4-amino-2-chloropyrimidin-5-carbonitrile
2-chloro-4-amino-5-cyanopyrimidine
4-amino-2-chloropyrimidine -5-carbonitrile
4-amino-2-chloro-5-cyanopyrimidine
BCP32279
SY007046
4-amino-2-chloro-5-pyrimidinecarbonitrile
SCHEMBL1143429
CS-W008087
AC-26750
4-Amino-2-chloro-5-cyanopyrimidine;
4-Amino-2-chloropyrimidine-5-carbonitrile, 97%
4-amino-2-chloro-pyrimidine-5-carbonitrile
AKOS005070784
WDHFCSOENXEMRC-UHFFFAOYSA-N
SB16100
EN300-132392
Kinome_3477
MFCD00052343

MDL Number

MFCD00052343

Customs Code

2933599090

FAQ

What is 4-Amino-2-chloropyrimidine-5-carbonitrile (CAS: 94741-69-2)?

4-Amino-2-chloropyrimidine-5-carbonitrile (CAS: 94741-69-2) is an organic compound with the molecular formula C4H3ClN5. It has a pyrimidine ring structure with a chlorine atom at the 2 position, an amino group at the 4 position, and a nitrile group at the 5 position. This compound is used in pharmaceutical research for developing potential antitumor agents and as a precursor in organic synthesis.

What are the main uses of 4-Amino-2-chloropyrimidine-5-carbonitrile (CAS: 94741-69-2)?

4-Amino-2-chloropyrimidine-5-carbonitrile (CAS: 94741-69-2) primarily serves as a key intermediate in the synthesis of various pharmaceutical compounds, particularly for antitumor drugs. It is also used in the development of new drug candidates and as a tool in chemical research.

Is 4-Amino-2-chloropyrimidine-5-carbonitrile (CAS: 94741-69-2) safe?

4-Amino-2-chloropyrimidine-5-carbonitrile (CAS: 94741-69-2) is generally considered safe for laboratory use when handled with proper precautions. However, direct skin contact or inhalation of dust should be avoided. Protective measures include wearing gloves and a lab coat. Ensure good ventilation during handling.

How should 4-Amino-2-chloropyrimidine-5-carbonitrile (CAS: 94741-69-2) be stored?

4-Amino-2-chloropyrimidine-5-carbonitrile (CAS: 94741-69-2) should be stored in a cool, dry place away from direct sunlight and heat sources. Keep it in a tightly sealed container to prevent moisture absorption. Store it at room temperature (15-25°C) to maintain its stability and purity.