3D Mol Similar

2,6-Dibromopyridine

: Iupac Name：2,6-dibromopyridine; CAS No.: 626-05-1; Molecular Weight：236.89; Modify Date.: 2023-11-06 18:32; Introduction:
2,6-Dibromopyridine, with the chemical formula C5H3Br2N and CAS registry number 626-05-1, is a compound known for its applications in various chemical processes. This yellow crystalline solid is characterized by its two bromine atoms attached to the pyridine ring. It is commonly used as a building block in the synthesis of pharmaceuticals, agrochemicals, and dyes. 2,6-Dibromopyridine is also used as a reagent in organic synthesis, offering a versatile platform for the introduction of bromine atoms into different molecules. It is important to handle this compound with caution, as it is toxic and may cause skin and eye irritation. Overall, 2,6-Dibromopyridine plays a crucial role in the development of various chemical compounds and has a wide range of applications in the field of chemistry.
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1. Names and Identifiers

: 1.1 Name; 2,6-Dibromopyridine; 1.2 Synonyms; 2,4-dibroMo-6-nitropyridine 2,6-dibromo-pyridin NSC 613 Pyridine, 2,6-dibromo-

1.3 CAS No.: 626-05-1

1.4 CID: 12274

1.5 EINECS(EC#): 210-926-9

1.6 Molecular Formula: C5H3Br2N (isomer)

1.7 Inchi: InChI=1S/C5H3Br2N/c6-4-2-1-3-5(7)8-4/h1-3H

1.8 InChIkey: FEYDZHNIIMENOB-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=NC(=C1)Br)Br

1.10 Isomers Smiles: C1=CC(=NC(=C1)Br)Br

2. Properties

2.1 Density: 2.0383 (rough estimate)

2.1 Melting point: 117-119 °C (lit.)

2.1 Boiling point: 255°C

2.1 Refractive index: 1.607

2.1 Flash Point: 213 °C

2.1 Precise Quality: 234.86300

2.1 PSA: 12.89000

2.1 logP: 2.60660

2.1 Appearance: Light-yellow Solid

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: White to light yellow crystalline powder

2.4 Color/Form: White to gray or buff

2.5 pKa: -3.65±0.10(Predicted)

2.6 Water Solubility: Chloroform (Slightly), Methanol (Slightly)

2.7 Stability: Stable under normal temperatures and pressures.

2.8 StorageTemp: Keep in dark place,Sealed in dry,Room Temperature

3. Use and Manufacturing

3.1 Purification Methods: Purify 2,6-dibromopyridine by steam distillation, then recrystallise it twice from EtOH. It does not form an HgCl2 salt. [den Hertog & Wibaut Recl Trav Chim Pays Bas 51 381 1932, Beilstein 20/5 V 435.] 2,6-Dibromopyridine Preparation Products And Raw materials Preparation Products

4. Safety and Handling

4.1 Hazard Codes: Xi,T,T+

4.1 Risk Statements: 36/37/38-25-20/21-52-28-52/53-36/38

4.1 Safety Statements: 26-37/39-45-36/37/39-36-36/37-28-61

4.1 Packing Group: II

4.1 Hazard Class: 6.1

4.1 Hazard Declaration: H300-H312 + H332-H315-H319-H335

4.1 RIDADR: 2811

4.1 Caution Statement: Missing Phrase - N15.00950417-P261-P280-P305 + P351 + P338

4.1 WGK Germany: 3

4.1 RTECS: US7883000

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 2

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	Danger
Hazard statement(s)	H300 Fatal 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+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... 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	P405 Store locked up. P403+P233 Store in a well-ventilated place. Keep container tightly closed.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Synthesis Route

626-05-1Total: 10 Synthesis Route

694-59-7 102 Suppliers

626-05-1 242 Suppliers

Literatures:
Do, Hien-Quang; Daugulis, Olafs Organic Letters, 2009 , vol. 11, # 2 p. 421 - 423 Title/Abstract Full Text View citing articles Show Details Popov, Ilya; Do, Hien-Quang; Daugulis, Olafs Journal of Organic Chemistry, 2009 , vol. 74, # 21 p. 8309 - 8313
Yield: ~30%

462-08-8 179 Suppliers

626-05-1 242 Suppliers

Literatures:
Roczniki Chemii, , vol. 14, p. 326,330 Chem. Zentralbl., , vol. 106, # I p. 70
Yield: null

109-04-6 379 Suppliers

626-05-1 242 Suppliers

Literatures:
Recueil des Travaux Chimiques des Pays-Bas, , vol. 51, p. 940,949
Yield: null

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7. Precursor and Product

precursor:

7789-69-7

462-08-8

2402-78-0

873383-11-0

110-86-1

7789-60-8

109-04-6

694-59-7

39856-57-0

25373-69-7

product :

2402-78-0

581-47-5

1148-79-4

49669-22-9

19798-81-3

49669-26-3

40473-07-2

17265-96-2

25373-69-7

5140-72-7

4479-74-7

58819-71-9

83621-01-6

108-48-5

74134-42-2

6231-18-1

2530-26-9

141-86-6

62913-27-3

92686-23-2

27992-32-1

2408-70-0

109-04-6

4645-11-8

53710-17-1

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8. Other Information

8.0 Usage: 2,6-Dibromopyridine is used as a tridentate chelating ligand and in the formation of macrocycles containing the terpyridine moiety. It is also used to produce 6-bromo-2-methoxypyridine.

8.1 BRN: 108922

8.2 Chemical Properties: White to light yellow crystalline powder

8.3 Purification Methods: Purify 2,6-dibromopyridine by steam distillation, then recrystallise it twice from EtOH. It does not form an HgCl2 salt. [den Hertog & Wibaut Recl Trav Chim Pays Bas 51 381 1932, Beilstein 20/5 V 435.]

9. Computational chemical data

Molecular Weight: 236.89g/mol
Molecular Formula: C₅H₃Br₂N
Compound Is Canonicalized: True
XLogP3-AA: 2.9
Exact Mass: 236.86117
Monoisotopic Mass: 234.86322
Complexity: 68.8
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 12.9
Heavy Atom Count: 8
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: AAADcQBiAAAAGAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHABAAAABOACBEgAwgJIIEACgACBiRACCgCAhAiQImCAwZLgIIOLAkZGEIAhggADIyhYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10. Question & Answer

How to apply and prepare 2,6-Dibromopyridine efficiently? May 27 2023
2,6-Dibromopyridine is a traditional organic chemical product. It is insoluble in water and soluble in methanol, ethanol, dioxane, chloroform, etc. It is mainly used in the fields of high-end fine ch..
What is the synthesis method of 2,6-dibromopyridine? May 22 2023
2,6-Dibromopyridine is a traditional organic chemical product that is insoluble in water but soluble in methanol, ethanol, dioxane, and chloroform. It is mainly used in the field of high-end fine chem..

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2,6-Dibromopyridine