CAS No.626-05-1,2,6-Dibromopyridine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	626-05-1
Name:	2,6-Dibromopyridine
Article Data:	18
Cas Database

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:	Xi, T
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With acetic acid

: 109-04-6
2-bromo-pyridine

: 626-05-1
2,6-Dibromopyridine

Conditions

Conditions	Yield
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

Conditions	Yield
at 226℃;

: 39856-57-0
2,6-dibromo-3-aminopyridine

: 626-05-1
2,6-Dibromopyridine

Conditions

Conditions	Yield
With ethanol; sulfuric acid anschliessend Behandeln mit wss. Natriumnitrit-Loesung;

: 462-08-8
pyridin-3-ylamine

: 626-05-1
2,6-Dibromopyridine

Conditions

Conditions	Yield
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

Conditions	Yield
at 500℃;

...Expand

: 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

Conditions	Yield
at 190℃;

...Expand

Raw Materials

2402-78-0

110-86-1

7789-69-7

462-08-8

109-04-6

7726-95-6

7789-60-8

694-59-7

Downstream Products

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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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