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4-Amino-2,6-dichloropyrimidine

CAS：10132-07-7
MW:163.989
MF：C4H3Cl2N3

4-Amino-2,6-dichloropyrimidine, with the chemical formula C4H3Cl2N3 and CAS registry number 10132-07-7, is a compound known for its applications in pharmaceutical and chemical industries. This white crystalline solid is characterized by its amino and dichloro functional groups. It is commonly used as a building block in the synthesis of various pharmaceutical compounds, including antiviral and anticancer agents. 4-Amino-2,6-dichloropyrimidine is also utilized as a precursor in the production of herbicides and fungicides. Its unique structure and reactivity make it a valuable tool in organic synthesis, allowing for the introduction of amino and dichloro moieties into different molecules.

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Names and ldentifier
Properties
Use and Manufacturing
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 4-Amino-2,6-dichloropyrimidine

1.2 Synonyms: 2,4-DICHLORO-6-AMINO PYRIMIDINE; 2,4-Dichloro-6-aminopyrimidine; 2,6-Dichloro-4-aminopyrimidine; 2,6-dichloro-4-pyrimidinamin; 2,6-Dichloro-4-pyrimidinamine; 2,6-DICHLOROPYRIMIDIN-4-AMINE; 2,6-Dichloro-pyrimidin-4-ylamine; 2,6-Dichloropyrimidin-4-ylamine; 4-AMINO-2,6-DICHLOROPYRIMIDINE; 4-AMINO-2,6-DIMETHOXYPYRIMIDINESULPHADIMETHOXINE; 4-Pyrimidinamine, 2,6-dichloro-; 6-Amino-2,4-dichloropyrimidine; NSC 51667; Pyrimidine, 4-amino-2,6-dichloro-;

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1.3 CAS No.: 10132-07-7

1.4 CID: 82387

1.5 EINECS: 233-369-3

1.6 Molecular Formula: C4H3Cl2N3

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

1.8 InChkey: UPVBKNZVOJNQKE-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=C(N=C(N=C1Cl)Cl)N

1.10 Isomers Smiles: C1=C(N=C(N=C1Cl)Cl)N

2. Properties

2.1 Appearance: White to pale brown Powder or Crystalline Powder

2.2 Storage: 2-8°C

2.3 Chemical Properties: Crystalline powder 4-Amino-2,6-dichloropyrimidine Preparation Products And Raw materials Preparation Products

2.4 Color/Form: Pale-yellow to Yellow-brown Solid

2.5 pKa: -0.86±0.10(Predicted)

2.6 Water Solubility: Slightly soluble in water.

3. Use and Manufacturing

3.1 Description

4-Amino-2,6-dichloropyrimidine, with the chemical formula C4H3Cl2N3, has the CAS number 10132-07-7. It appears as a white to light yellow crystalline powder with no odor. The basic structure of 4-Amino-2,6-dichloropyrimidine consists of two chlorine atoms, one amino group, and one pyrimidine ring. This compound is sparingly soluble in water. Safety information regarding 4-Amino-2,6-dichloropyrimidine suggests that it may cause irritation to the respiratory system, skin, and eyes. It is important to handle this chemical with caution and use appropriate protective measures to avoid any potential harm.

Applicable Fields

Pharmaceuticals: 4-Amino-2,6-dichloropyrimidine is commonly used in the pharmaceutical industry. Its purpose in this field involves its ability to act as an intermediate in the synthesis of various drugs. The mechanism of action in pharmaceuticals involves its role as a building block for the creation of specific chemical structures necessary for drug development.

Agriculture: This compound has applications in the field of agriculture. Its purpose in this context involves its use as a herbicide or pesticide. The mechanism of action in agriculture involves its ability to inhibit the growth of unwanted plants or pests, thereby protecting crops and improving agricultural productivity.

Storage

Conditions: Store in a cool and dry place.

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4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

6. Synthesis Route

10132-07-7Total: 4 Synthesis Route

873-83-6 226 Suppliers

10132-07-7 169 Suppliers

3764-01-0 163 Suppliers

10132-07-7 169 Suppliers

56-05-3 239 Suppliers

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7. Precursor and Product

precursor:

3764-01-0

7664-41-7

873-83-6

91-66-7

product:

78418-15-2

321328-97-6

3549-05-1

1075-39-4

3289-38-1

156-83-2

3289-39-2

70958-39-3

117077-93-7

28969-60-0

8. Computed Properties

Molecular Weight：163.989g/mol
Molecular Formula：C₄H₃Cl₂N₃
Compound Is Canonicalized：True
Exact Mass：1.8
XLogP3-AA：162.9704025
Monoisotopic Mass：162.9704025
Complexity：99.8
Rotatable Bond Count：0
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：51.8
Heavy Atom Count：：9
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcQBjAAAGAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAIQAAAACAKBEiAxsJZIEACgACJiZACAgCkBB6ABECAwZhCACABASEAEBAgIEAJAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9.Other Information

Chemical Properties: Crystalline powder

Usage: It is used in the Suzuki coupling of 5-chloro-2-methoxyphenyl boronic acid with 4-amino-2,6-dichloropyrimidine yielded aminochloropyrimidine.

Manufacturing Info: 4-Pyrimidinamine, 2,6-dichloro-: INACTIVE

10. Toltal 157 Suppliers View more

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11. Related Questions

: What is 4-Amino-2,6-dichloropyrimidine and how is it synthesized?4-Amino-2,6-dichloropyrimidine, also known as 4-Amino-2,6-dichloropyrimidine, is an aromatic heterocyclic compound that serves as an organic synthesis intermediate. Its molecular formula is C4H3Cl2N3,..

12. Realated Product Infomation