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626-05-1

Basic Information
CAS No.: 626-05-1
Name: 2,6-Dibromopyridine
Article Data: 18
Molecular Structure:
Molecular Structure of 626-05-1 (2,6-Dibromopyridine)
Formula: C5H3Br2N
Molecular Weight: 236.894
Synonyms: 5-20-05-00435 (Beilstein Handbook Reference);2,6-Dibrompyridin;
EINECS: 210-926-9
Density: 2.059 g/cm3
Melting Point: 117-119 °C(lit.)
Boiling Point: 255.9 °C at 760 mmHg
Flash Point: 108.5 °C
Solubility: insoluble in water
Appearance: white to light yellow crystalline powder
Hazard Symbols: IrritantXi, ToxicT
Risk Codes: 36/37/38-25-20/21
Safety: 26-37/39-45-36/37/39-36
Transport Information: UN 2811
PSA: 12.89000
LogP: 2.60660
Synthetic route
25373-69-7

2,6-dibromopyridin N-oxide

626-05-1

2,6-Dibromopyridine

694-59-7

pyridine N-oxide

626-05-1

2,6-Dibromopyridine

Conditions
ConditionsYield
With carbon tetrabromide; lithium tert-butoxide In m-xylene at 100℃; for 1h; Inert atmosphere;30%
110-86-1

pyridine

A

109-04-6

2-bromo-pyridine

B

626-05-1

2,6-Dibromopyridine

Conditions
ConditionsYield
With bromine at 500℃; Leiten ueber Bimsstein;
With bromine at 500℃; Leiten ueber Glas;
2402-78-0

2,6-dichloropyridine

626-05-1

2,6-Dibromopyridine

Conditions
ConditionsYield
With acetic acid
109-04-6

2-bromo-pyridine

626-05-1

2,6-Dibromopyridine

Conditions
ConditionsYield
With bromine at 300℃; Leiten ueber mit Kupfer(I)-bromid impraegnierten Bimsstein;
silver salt of/the/ 2.6-dibromo-isonicotinic acid

silver salt of/the/ 2.6-dibromo-isonicotinic acid

626-05-1

2,6-Dibromopyridine

Conditions
ConditionsYield
at 226℃;
39856-57-0

2,6-dibromo-3-aminopyridine

626-05-1

2,6-Dibromopyridine

Conditions
ConditionsYield
With ethanol; sulfuric acid anschliessend Behandeln mit wss. Natriumnitrit-Loesung;
462-08-8

pyridin-3-ylamine

626-05-1

2,6-Dibromopyridine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: methanol; bromine
2: ethanol; concentrated sulfuric acid / anschliessend Behandeln mit wss. Natriumnitrit-Loesung
View Scheme
110-86-1

pyridine

7726-95-6

bromine

pumice stone

pumice stone

A

109-04-6

2-bromo-pyridine

B

626-05-1

2,6-Dibromopyridine

Conditions
ConditionsYield
at 500℃;
873383-11-0

6-bromo-1-methyl-1,2-dihydropyridin-2-one

7789-60-8

phosphorus tribromide

7789-69-7

phosphorus pentabromide

626-05-1

2,6-Dibromopyridine

Conditions
ConditionsYield
at 190℃;
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Specification

The 2, 6-Dibromopyridine, with the CAS registry number of 626-05-1, is also known as 2, 6-Dibromo-pyridin. It belongs to the product categories of Pyridine; Pyridine Series; Pyridines, Pyrimidines, Purines and Pteredines; Pyridines; Bromopyridines; Halopyridines; C5Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks. Its EINECS registry number is 210-926-9. This chemical's molecular formula is C5H3Br2N and molecular weight is 236.89. In addition, it should be stored in dry, cool, airtight place. Avoid contact with oxidant, otherwise it would decompose. Besides, the storage place must be locked, the key must be kept by technical experts and their assistants.

Physical properties about 2, 6-Dibromopyridine are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.36; (6)ACD/BCF (pH 7.4): 32.36; (7)ACD/KOC (pH 5.5): 419.22; (8)ACD/KOC (pH 7.4): 419.22; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 39.72 cm3; (15)Molar Volume: 115 cm3; (16)Polarizability: 15.74×10-24 cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 2.059 g/cm3; (19)Flash Point: 108.5 °C; (20)Enthalpy of Vaporization: 47.34 kJ/mol; (21)Boiling Point: 255.9 °C at 760 mmHg; (22)Melting Point: 117-119 °C(lit. ); (23)Vapour Pressure: 0.0255 mmHg at 25 °C.

Preparation: this chemical is prepared by 2, 6-Dibromo-pyridine-1-oxide at ambient temperature. The reaction needs reagent Titanium(0) slurry and solvent Tetrahydrofuran. The reaction time is 15 minutes. The yield is about 98 %.

 

Uses: it is used to produce other chemicals. For example, it is used to produce 6-Bromo-2-methoxypyridine at heating. This reaction needs reagent NaOH. The yield is about 73 %.

 

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause damage to health at low levels. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(nc(c1)Br)Br
(2) InChI: InChI=1/C5H3Br2N/c6-4-2-1-3-5(7)8-4/h1-3H
(3) InChIKey: FEYDZHNIIMENOB-UHFFFAOYAG

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 320mg/kg (320mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.

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