5-Amino-4,6-dichloropyrimidine structure

3D Mol Similar

5-Amino-4,6-dichloropyrimidine

: Iupac Name：4,6-dichloropyrimidin-5-amine; CAS No.: 5413-85-4; Molecular Weight：163.989; Modify Date.: 2023-03-07 08:20; Introduction: An intermediate in the production of many biological inhibitors. 5-Amino-4,6-dichloropyrimidine Preparation Products And Raw materials Preparation Products View more+

Request For Quotation

1. Names and Identifiers

: 1.1 Name; 5-Amino-4,6-dichloropyrimidine; 1.2 Synonyms; 2,1-Benzoxaborol-7-ol, 4,6-dichloro-1,3-dihydro-1-hydroxy- 4,6-Dichloro-2,1-benzoxaborole-1,7(3H)-diol 4,6-Dichloro-5-aminopyrimidine 4,6-dichloro-5-pyrimidinamin 4,6-DICHLORO-5-PYRIMIDINAMINE 4,6-dichlorobenzo[c][1,2]oxaborole-1,7(3H)-diol 4,6-DICHLOROPYRIMIDIN-5-AMINE 4,6-DICHLOROPYRIMIDIN-5-YLAMINE 5-AMINO-4,6-DICHLOROPYFIMIDINE 5-PYRIMIDINAMINE, 4,6-DICHLORO- AKOS 91433 MFCD00006108 NSC 7851 Pyrimidine, 5-amino-4,6-dichloro-; View all

1.3 CAS No.: 5413-85-4

1.4 CID: 79434

1.5 EINECS(EC#): 226-503-7

1.6 Molecular Formula: C4H3Cl2N3 (isomer)

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

1.8 InChIkey: NIGDWBHWHVHOAD-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=NC(=C(C(=N1)Cl)N)Cl

1.10 Isomers Smiles: C1=NC(=C(C(=N1)Cl)N)Cl

2. Properties

2.1 Density: 1.606

2.1 Melting point: 143-148℃

2.1 Boiling point: 267.1 °C at 760 mmHg

2.1 Refractive index: 1.633

2.1 Flash Point: 115.3 °C

2.1 Precise Quality: 162.97000

2.1 PSA: 51.80000

2.1 logP: 1.94680

2.1 Solubility: slightly soluble

2.2 Appearance: Yellow-brown Crystals or Powder

2.3 Storage: Moisture Sensitive. Ambient temperatures.

2.4 Chemical Properties: Yellowish-brown crystals or powder

2.5 Color/Form: White to Yellow Solid

2.6 pKa: -3.01±0.26(Predicted)

2.7 Water Solubility: slightly soluble

2.8 Stability: Stable under normal temperatures and pressures.

2.9 StorageTemp: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

3. Use and Manufacturing

3.1 Usage: An intermediate in the production of many biological inhibitors. 5-Amino-4,6-dichloropyrimidine Preparation Products And Raw materials Preparation Products

4. Safety and Handling

4.1 Hazard Codes: Xi

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S24/25

4.1 Hazard Declaration: H315-H319-H335

4.1 RIDADR: NONH for all modes of transport

4.1 Caution Statement: P261-P305 + P351 + P338

4.1 WGK Germany: 3

4.1 Safety: Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36-24/25
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
24/25:Avoid contact with skin and eyes
WGK Germany:3
HS Code:29335995

4.2 Sensitive: Moisture Sensitive

4.3 Specification: Yellowish-brown crystals or powder
usageEng:An intermediate in the production of many biological inhibitors.
Safety Statements:26-36-24/25
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
24/25:Avoid contact with skin and eyes

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

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)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. 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	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

6. NMR Spectrum

Mass spectrum (electron ionization)

7. Synthesis Route

5413-85-4Total: 2 Synthesis Route

4316-93-2 134 Suppliers

5413-85-4 168 Suppliers

Literatures:
Latli, Bachir; Jones, Paul-James; Krishnamurthy, Dhileepkumar; Senanayake, Chris H. Journal of Labelled Compounds and Radiopharmaceuticals, 2008 , vol. 51, # 1 p. 54 - 58
Yield: ~98%

69340-97-2 16 Suppliers

5413-85-4 168 Suppliers

Literatures:
ENANTIA, S.L.; PASTó AGUILà, Mireia; COMELY, Alexander Christian Patent: WO2014/23681 A1, 2014 ; Location in patent: Page/Page column 33; 34 ;
Yield: null

8. Precursor and Product

precursor:

4316-93-2

69340-97-2

product :

130623-77-7

63291-59-8

123240-66-4

98140-03-5

195252-56-3

103505-49-3

88474-32-2

5452-43-7

181304-94-9

5449-10-5

54660-92-3

73840-54-7

6623-88-7

18202-82-9

454685-58-6

871266-78-3

6959-84-8

41259-67-0

15948-97-7

52602-68-3

4316-98-7

33360-19-9

591-55-9

42786-59-4

View all

9. Other Information

9.0 Manufacturing Info: 5-Pyrimidinamine, 4,6-dichloro-: INACTIVE

10. Computational chemical data

Molecular Weight: 163.989g/mol
Molecular Formula: C₄H₃Cl₂N₃
Compound Is Canonicalized: True
XLogP3-AA: 1.4
Exact Mass: 162.9704025
Monoisotopic Mass: 162.9704025
Complexity: 89.8
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: AAADcQBjAAAGAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAIQAAAACAoBEiQF0JZIEACgAARhZACAgCkRFKABUCAoVhCASABASEAUBAgIAAJAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

11. Recommended Suppliers

Global165SuppliersView all >>

Amitychem Corporation Diamond member

3YRS

Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
Tel:86-592-8883942
Email:sale@amitychem.com

Factory Supply 5-Amino-4,6-Dichloropyrimidine

Purity:99%Packing: 200kg/bag FOB
Price: 0.1 USD/kilogram
Time: 2023/06/28

Inquire

Dayang Chem (Hangzhou) Co., Ltd. Diamond member

12YRS

Products:Chemical products
Tel:86-571-88938639
Email:sales-gc@dycnchem.com

5-Amino-4,6-dichloropyrimidine

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2023/09/25

Inquire

Jinlan Pharm-Drugs Technology Co., Limited Diamond member

11YRS

Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
Tel:86-571-85829052
Email:market@royalpharms.com

5-Amino-4,6-dichloropyrimidine

Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/kilogram
Time: 2023/07/07

Inquire

Hangzhou ZeErRui Chemical Co., Ltd. Diamond member

2YRS

Products:We ZERchem, facing global High-tech pharmaceutical raw materials, high value-added new type intermediates fine chemicals custom synthesis, scale-up production and rare chemicals trade.
Tel:+86-571-82512721
Email:sales@zeerrui.com

5-Amino-4,6-dichloropyrimidine