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2-Bromo-5-methylpyridine

2-Bromo-5-methylpyridine structure

CAS No:
3510-66-5
Formula:
C6H6BrN
Chemical Name:
2-Bromo-5-methylpyridine
Synonyms:
Pyridine,2-bromo-5-methyl-;3-Picoline,6-bromo-;2-Bromo-5-methylpyridine;5-Methyl-2-bromopyridine;2-Bromo-5-picoline;6-Bromo-3-picoline
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

2-Bromo-5-methylpyridine is Light Brown Solid

2-Bromo-5-methylpyridine Basic Attributes

Molecular Weight：

172.025

Exact Mass：

172.02

EC Number：

609-062-9

DSSTox ID：

DTXSID50188600

HScode：

2933399090

Characteristics

PSA：

12.9

XLogP3：

2.4

Density：

1.5±0.1 g/cm3

Melting Point：

49-50 °C

Boiling Point：

80 °C @ Press: 7 Torr

Flash Point：

86.1±21.8 °C

Refractive Index：

1.553

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S37/39-S36/37/39

Marks：

Xn:Harmful

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-5-methylpyridine Use and Manufacturing

Methods of Manufacturing

Procedure B Intermediate 7: 2- [[6-MORPHOLIN-4-YL-PYRIDIN-3-YL] ETHANAMINE] Step 1: 2-Bromopicoline To a stirred solution of 2-amino-5-picoline (120g, 1. [10MOL)] in 1. 5L of 48percent HBr was added [160ML] [OF BR2] (498g, 3. [1MOL) AT-20°C] over a period of lh and then allowed to stir at same temperature for 2h. To this mixture was added slowly a solution [OF NAN02] (204g, 2. [95MOL, ] in 300mL of water) and the resuting solution was allowed to stir for another lh [AT-20°C.] The reaction mixture was quenched at-20°C by addition of aqueous [NAOH] [(1.] 2Kg of [NAOH] in 2L of water) then extracted with diethyl ether [(3XLL).] The organic layer was washed with water, brine, dried with [NA2SO4] and concentrated to give a crude residue. After purification by distillation (bath temp. [130°C, ] vacuum temp. [85-90°C, ] vacuum=0. [01MM), ] 172g 2-bromopicoline were obtained as off white low melting solid (90percent). [TLC, Rf= 0.8, diethyl ether]Step 3: Step 3: Step 3: Step 3: EXAMPLE 28

Uses

2-Bromo-5-methylpyridine is used for preparation of [[(triazolylmethyl)pyridyl]phenyl]tetrazoles and related compounds as cardiovascular agents.

Computed Properties

Molecular Weight:172.02
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Exact Mass:170.96836
Monoisotopic Mass:170.96836
Topological Polar Surface Area:12.9
Heavy Atom Count:8
Complexity:74.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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