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3-Amino-2-bromopyridine

3-Amino-2-bromopyridine structure

CAS No:
39856-58-1
Formula:
C5H5BrN2
Chemical Name:
3-Amino-2-bromopyridine
Synonyms:
3-Amino-2-bromopyridine 97%;3-AMINO-2-BROMOPYRIDINE;2-BROMO-3-AMINOPYRIDINE;2-BROMOPYRIDINE-3-AMINE;2-BROMO-PYRIDINEAMINE;2-BROMO-PYRIDIN-3-YLAMINE;TIMTEC-BB SBB005539;2-Bromo-3-pyridinamine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light yellow Cryst

3-Amino-2-bromopyridine Basic Attributes

Molecular Weight：

173.01

Exact Mass：

171.963608

BRN：

109830

EC Number：

-0

DSSTox ID：

DTXSID30349070

HScode：

29333990

Characteristics

PSA：

38.9

XLogP3：

1.2

Appearance：

Beige to dark brown Crystalline Powder

Density：

1.7±0.1 g/cm3

Melting Point：

76-80 °C

Boiling Point：

292.5°C at 760 mmHg

Flash Point：

130.7±21.8 °C

Refractive Index：

1.636

Water Solubility：

Slightly soluble in water.

Storage Conditions：

Room temperature.

Safety Information

Packing level：

III

Hazard category：

IRRITANT

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

22-37/38-41-36/37/38

safety instructions：

26-36/39-37/39

Marks：

Xn,Xi

Precautionary statement(s)：

P261-P280-P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H315-H318-H335

GHS Classification：

|Danger|H301 (87.23%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Amino-2-bromopyridine Use and Manufacturing

Preparation Example S-1. 2-Bromo-3-nitropyridine (3g, 15mmol) was dissolved in a mixture solution of tetrahydrofuran (15mL) and water (5mL), then iron powder (1g, 18mmol) and ammonium chloride (2g, 37mmol) were added thereto, followed by stirring at from 60°C to 70°C for 5 hours. After the reaction was completed, the reaction mixture was filtered through Celite pad, brine was added, and the solution was extracted with ethyl acetate. The organic layer was dried over anhydrous magnesium sulfate, then evaporated, the resulting residue was purified by silica gel column chromatography (ethyl acetate : hexane = 1 : 4), and the title compound (2.6g, 15mmol, quantitatively) was obtained.

Computed Properties

Molecular Weight:173.01
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:171.96361
Monoisotopic Mass:171.96361
Topological Polar Surface Area:38.9
Heavy Atom Count:8
Complexity:76.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Magnesium sulfate heptahydrate

Tetrahydrofuran

Ammonium chloride

Ethyl acetate

3-Aminopyridine

Hydrochloric acid

Phosphorus tribromide

PETROLEUM ETHER

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CAS No.: 39856-58-1

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