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5-BROMO-2-PHENYLPYRIDINE

5-BROMO-2-PHENYLPYRIDINE structure

CAS No:
27012-25-5
Formula:
C11H8BrN
Chemical Name:
5-BROMO-2-PHENYLPYRIDINE
Synonyms:
5-bromo-2-phenylpyridine;2-Phenyl-5-bromopyridine;3-BROMO-6-PHENYLPYRIDINE;MFCD04114181;5-bromo-2-phenyl-pyridine;PubChem21997;ACMC-20am5l;5-bromo -2-phenylpyridine;SCHEMBL1182292;CTK1A1014
Categories:
Specialty Chemicals

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5-BROMO-2-PHENYLPYRIDINE Basic Attributes

Molecular Weight：

234.09

Exact Mass：

232.98400

DSSTox ID：

DTXSID50376520

HScode：

2933399090

Characteristics

PSA：

12.9

XLogP3：

3.2

Density：

1.426g/cm3

Melting Point：

73-75°C

Boiling Point：

309.3°C at 760 mmHg

Flash Point：

140.9ºC

Refractive Index：

1.606

Water Solubility：

soluble in ethyl ether.

Vapor Pressure：

0.00117mmHg at 25°C

Safety Information

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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-BROMO-2-PHENYLPYRIDINE Use and Manufacturing

General procedure: 5 g (34 mmol) of 2, 4-dichloropyridine, 16 g (135 mmol) of phenylboronic acid, After Pd (PPh3) 4 3.9g (2.4mmol), K2CO3 23g (135mmol), 100mL toluene, 50mL ethanol and 50mL H2O were added to the flask, The mixture was stirred at 120 C for 6 hours. Then, the reaction mixture is dried, Separated by column to obtain compound 1-16.4 g (82%).

Computed Properties

Molecular Weight:234.09
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:232.98401
Monoisotopic Mass:232.98401
Topological Polar Surface Area:12.9
Heavy Atom Count:13
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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