2-Bromo-4-methylpyridine

Iupac Name：2-bromo-4-methylpyridine

Molecular Weight：172.025

Modify Date.: 2022-10-31 02:43

Introduction: An intermediate of pyridinyl pyrrole compounds as proton pump inhibitors with improved gastric acid secretion suppressive activity 2-Bromo-4-methylpyridine Preparation Products And Raw materials Preparation Products View more+

Request For Quotation

1. Names and Identifiers

1.1 Name: 2-Bromo-4-methylpyridine
1.2 Synonyms: 2--4- MethylpyridinebroMide 2-BROMO-4-MEFHYL PYRIDINE 2-BROMO-4-METHYLPYRIDINE 2-Bromo-4-MythylPyridine 2-Bromo-4-picoline RARECHEM AH CK 0041

1.3 CAS No.: 4926-28-7

1.4 CID: 2734087

1.5 EINECS(EC#): 000-000-0

1.6 Molecular Formula: C6H6BrN (isomer)

1.7 Inchi: InChI=1S/C6H6BrN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3

1.8 InChIkey: LSZMVESSGLHDJE-UHFFFAOYSA-N

1.9 Canonical Smiles: CC1=CC(=NC=C1)Br

1.10 Isomers Smiles: CC1=CC(=NC=C1)Br

2. Properties

2.1 Density: 1.545

2.1 Melting point: 218 - 228

2.1 Boiling point: 87℃ (10 mmHg)

2.1 Refractive index: 1.56-1.563

2.1 Flash Point: >230?°F

2.1 Precise Quality: 170.96800

2.1 PSA: 12.89000

2.1 logP: 2.15250

2.1 Appearance: Colorless to orange oily liquid

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: Colorless to orange oily liqui

2.4 Color/Form: Clear yellow

2.5 pKa: 1.46±0.10(Predicted)

3. Use and Manufacturing

3.1 Usage: An intermediate of pyridinyl pyrrole compounds as proton pump inhibitors with improved gastric acid secretion suppressive activity 2-Bromo-4-methylpyridine Preparation Products And Raw materials Preparation Products

4. Safety and Handling

4.1 Hazard Codes: Xn

4.1 Risk Statements: R20/21/22;R36/37/38

4.1 Safety Statements: S26;S36/37/39

4.1 Hazard Class: IRRITANT

4.1 WGK Germany: 3

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

View all

6. Synthesis Route

4926-28-7Total: 4 Synthesis Route

695-34-1 284 Suppliers

4926-28-7 286 Suppliers

Literatures:
Bonnet, Veronique; Mongin, Florence; Trecourt, Francois; Queguiner, Guy; Knochel, Paul Tetrahedron, 2002 , vol. 58, # 22 p. 4429 - 4438
Yield: ~91%

108-89-4 94 Suppliers

4926-28-7 286 Suppliers

Literatures:
Kaminski, Thomas; Gros, Philippe; Fort, Yves European Journal of Organic Chemistry, 2003 , # 19 p. 3855 - 3860
Yield: ~70%

695-34-1 284 Suppliers

4926-28-7 286 Suppliers

83004-14-2 7 Suppliers

Literatures:
Merck and Co., Inc. Patent: US6127390 A1, 2000 ; US 6127390 A
Yield: null

View all

7. Precursor and Product

precursor:

108-89-4

695-34-1

78948-09-1

product :

118289-16-0

935861-30-6

66572-56-3

118289-17-1

1134-35-6

26156-48-9

6813-38-3

565176-37-6

89978-52-9

183483-29-6

22282-60-6

25927-45-1

71071-46-0

83004-14-2

30413-54-8

77314-81-9

452343-16-7

496043-97-1

102336-06-1

3475-21-6

372963-48-9

17117-12-3

1620-76-4

446880-81-5

461-87-0

View all

8. Computational chemical data

Molecular Weight: 172.025g/mol
Molecular Formula: C₆H₆BrN
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 170.96836
Monoisotopic Mass: 170.96836
Complexity: 74.9
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: AAADcYBiAAAAEAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHABAAAABPADBGgQ+gJIIEACgAjBnRACCgCAxAiQI2CA4ZLgIIGLAkZGEIAhggADIyhYQAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9. Recommended Suppliers

Global285SuppliersView all >>

Jinlan Pharm-Drugs Technology Co., Limited Diamond member

-112YR

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

2-Bromo-4-methylpyridine