4,6-dichloropyrimidin-5-amine

Basic Information

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CAS Number

5413-85-4

Molecular Formula

C4H3Cl2N3

Molecular Weight

164 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

143.0 to 147.0 deg-C

Boiling Point

267.1℃ at 760 mmHg

Flash Point

115.3℃

Solubility

slightly soluble

Refractive Index

1.6300 (estimate)

SMILES

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

InChI

InChI=1S/C4H3Cl2N3/c5-3-2(7)4(6)9-1-8-3/h1H,7H2

InChIKey

NIGDWBHWHVHOAD-UHFFFAOYSA-N

LogP

1.3656

Topological Polar Surface Area

51.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

89.8

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Sensitiveness

Moisture Sensitive

Synonyms & References

English

SY003819
GS-6845
4,6-Dichloro-5-aminopyrimidine
SCHEMBL41301
EN300-29203
4,6-dichloro-pyrimidin-5-yl-amine
4,6-dichloro-pyrimidin-5-ylamine
5-amino-4,6-dichloro-pyrimidine
DTXSID6063850
AI3-52090
4, 6-dichloro-5-aminopyrimidine
AC-3095
NSC-7851
AB00590
A1395
A7874
NSC 7851
AKOS000280684
NS00032968
BCP19480
5413-85-4
AB-323/25048131
NSC7851
5-amine-4,6-dichloropyrimidine
EINECS 226-503-7
5-Pyrimidinamine,6-dichloro-
5-amino-4,6-dichloro pyrimidine
FT-0619999
(4,6-dichloropyrimidin-5-yl)amine
5-Pyrimidinamine, 4,6-dichloro-
5-Amino-4,6-dichloropyrimidine

MDL Number

MFCD00006108

Customs Code

29335995

FAQ

What is 4,6-dichloropyrimidin-5-amine (CAS: 5413-85-4)?

4,6-Dichloropyrimidin-5-amine is an organic compound with the CAS number 5413-85-4. It is a white to off-white solid that is soluble in water and has a molecular formula of C4H2Cl2N3. This compound is used in various applications including pharmaceuticals, as an intermediate in drug synthesis, and in research for its biological activity.

What are the main uses of 4,6-dichloropyrimidin-5-amine (CAS: 5413-85-4)?

4,6-Dichloropyrimidin-5-amine is primarily used as a pharmaceutical intermediate and in research. It serves as a key component in the synthesis of various drugs and is also utilized in studies for its potential biological activities, such as antiviral and anticancer properties.

Is 4,6-dichloropyrimidin-5-amine (CAS: 5413-85-4) safe?

4,6-Dichloropyrimidin-5-amine is generally considered safe when handled properly. However, it is important to follow safety guidelines, such as wearing appropriate personal protective equipment (PPE), avoiding inhalation and skin contact, and handling it in a well-ventilated area. Storage in a cool, dry place away from direct sunlight is recommended.

How should 4,6-dichloropyrimidin-5-amine (CAS: 5413-85-4) be stored?

4,6-Dichloropyrimidin-5-amine should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed, airtight container to prevent moisture absorption. The storage area should have good ventilation to minimize the risk of inhalation. Avoid contact with incompatible materials like strong oxidizers or reducing agents.