4-Amino-2,6-dichloropyrimidine structure

3D Mol Similar

4-Amino-2,6-dichloropyrimidine

: Iupac Name：2,6-dichloropyrimidin-4-amine; CAS No.: 10132-07-7; Molecular Weight：163.989; Modify Date.: 2022-11-22 15:47; Introduction:
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.
View more+

Request For Quotation

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-; View all

1.3 CAS No.: 10132-07-7

1.4 CID: 82387

1.5 EINECS(EC#): 233-369-3

1.6 Molecular Formula: C4H3Cl2N3 (isomer)

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

1.8 InChIkey: 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 Density: 1.606

2.1 Melting point: 258-267℃

2.1 Boiling point: 323.5 °C at 760 mmHg

2.1 Refractive index: 1.633

2.1 Flash Point: 323.5 °C at 760 mmHg

2.1 Precise Quality: 162.97000

2.1 PSA: 51.80000

2.1 logP: 1.94680

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. Safety and Handling

3.1 Hazard Codes: Xn

3.1 Risk Statements: R22;R36/37/38

3.1 Safety Statements: S26;S36/37

3.1 Hazard Declaration: H302-H315-H319-H335

3.1 RIDADR: NONH for all modes of transport

3.1 Caution Statement: P261-P305 + P351 + P338

3.1 WGK Germany: 3

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

View all

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

Literatures:
Molecules, , vol. 17, # 4 p. 4533 - 4544
Yield: ~85%

3764-01-0 163 Suppliers

10132-07-7 169 Suppliers

56-05-3 239 Suppliers

Literatures:
Chemische Berichte, , vol. 36, p. 2234 Chemische Berichte, , vol. 34, p. 3363
Yield: null

873-83-6 226 Suppliers

91-66-7 100 Suppliers

10132-07-7 169 Suppliers

Literatures:
Journal of Organic Chemistry, , vol. 20, p. 829,833,835
Yield: null

View all

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. Other Information

8.0 Chemical Properties: Crystalline powder

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

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

9. Computational chemical data

Molecular Weight: 163.989g/mol
Molecular Formula: C₄H₃Cl₂N₃
Compound Is Canonicalized: True
XLogP3-AA: 1.8
Exact Mass: 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==

10. Question & Answer

What is 4-Amino-2,6-dichloropyrimidine and how is it synthesized? Aug 27 2022
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,..

11. Recommended Suppliers

Global159SuppliersView all >>

Wuhan Fortuna Chemical Co., Ltd. Diamond member

11YRS

Products:API & Intermediates, Food Addititives,Fine Chemicals. Biochemical & Reagent
Tel:86-27-59207850
Email:info@fortunachem.com

High quality 4-Amino-2,6-dichloropyrimidine CAS 10132-07-7 with factory price

Purity:99%Packing: 200kg/bag FOB
Price: 10 USD/g
Time: 2024/08/08

Inquire

Hebei Yanxi Chemical Co.,Ltd Diamond member

6YRS

Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
Tel:86-185-31123677
Email:xing@yan-xi.com

4-Amino-2,6-dichloropyrimidineCAS NO.: 10132-07-7

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2024/11/14

Inquire

CANGZHOU ENKE PHARMA-TECH CO.,LTD Diamond member

2YRS

Products:Cangzhou Enke Pharma-tech Co.,Ltd (China) is a leading manufacturer of innovative chemistry products and services throughout the pharmaceutical R&D process and commercial production.
Tel:0086-317-5296180
Email:sale@enkepharma.com

4-Amino-2,6-dichloropyrimidine