[ CAS No. 2457-47-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type	HazMat fee for 500 gram (Estimated)
Excepted Quantity	USD 0.00
Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

2D 3D

Structure of 2457-47-8 * Storage: {[proInfo.prStorage]}

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	Inquiry	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price) ]}	{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price) ]}	{[ item.pr_usastock ]}		{[ item.pr_chinastock ]}	{[ item.pr_remark ]}	Login		Inquiry

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 2457-47-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 2457-47-8 ]

SDS Specification

Alternatived Products of [ 2457-47-8 ]

Product Details of [ 2457-47-8 ]

CAS No. :	2457-47-8	MDL No. :	MFCD00006376
Formula :	C₅H₃Cl₂N	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WPGHPGAUFIJVJF-UHFFFAOYSA-N
M.W :	147.99	Pubchem ID :	17153
Synonyms :

Calculated chemistry of [ 2457-47-8 ] Expand+

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	34.26
TPSA :	12.89 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.39 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.77
Log Po/w (XLOGP3) :	2.56
Log Po/w (WLOGP) :	2.39
Log Po/w (MLOGP) :	1.68
Log Po/w (SILICOS-IT) :	2.73
Consensus Log Po/w :	2.23

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.93
Solubility :	0.176 mg/ml ; 0.00119 mol/l
Class :	Soluble
Log S (Ali) :	-2.48
Solubility :	0.492 mg/ml ; 0.00332 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.24
Solubility :	0.0859 mg/ml ; 0.000581 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.34

Safety of [ 2457-47-8 ]

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P280-P305+P351+P338-P309+P311-P302+P352	UN#:	2811
Hazard Statements:	H311-H302-H315-H319-H335	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 2457-47-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 2457-47-8 ]
Downstream synthetic route of [ 2457-47-8 ]

[ 2457-47-8 ] Synthesis Path-Upstream 1~3

1
[ 2457-47-8 ]
[ 514797-99-0 ]

Reference： [1] Journal of Organic Chemistry, 2014, vol. 79, # 12, p. 5827 - 5833

2
[ 2457-47-8 ]
[ 71902-33-5 ]
[ 514797-99-0 ]

Reference： [1] Journal of Organic Chemistry, 2014, vol. 79, # 12, p. 5827 - 5833

3
[ 2457-47-8 ]
[ 1254473-64-7 ]

Reference： [1] Patent: US2012/83511, 2012, A1,

[ 2457-47-8 ] Synthesis Path-Downstream 1~2

1
[ 2457-47-8 ]
[ 71902-33-5 ]

Yield	Reaction Conditions	Operation in experiment
60%	With potassium fluoride;1,3-dimethyl-2-(N',N',N",N"-tetramethylguanidino)-4,5-dihydro-3H-imidazolium chloride; In sulfolane; at 205℃; under 2250.23 - 9300.93 Torr; for 48h;	Example 1; Preparation of 3,5-difluoropyridine; 1000 g of dichloropyridine and 1580 g of dry potassium fluoride were initially charged in 1700 ml of sulpholane in an autoclave. Subsequently, 84 g of CNC catalyst (compound (III-1)) were added, nitrogen was injected to 3 bar and the mixture was heated to 205° C. with stirring for 48 h. During the reaction, a maximum total pressure of 12.4 bar arose. Subsequently, the mixture was cooled to 10° C. and the product was distilled off at standard pressure. After redistillation, 473 g of dichloropyridine (60percent of theory) were obtained as a colourless liquid.

Reference： [1]Patent: US2006/9643,2006,A1 .Location in patent: Page/Page column 4-5

2
[ 2457-47-8 ]
[ 71902-33-5 ]
[ 514797-99-0 ]

Reference： [1]Journal of Organic Chemistry,2014,vol. 79,p. 5827 - 5833

Recommend Products

Same Skeleton Products

Related Products

Isomers

Technical Information

? Alkyl Halide Occurrence ? General Reactivity ? Grignard Reaction ? Hiyama Cross-Coupling Reaction ? Kinetics of Alkyl Halides ? Kumada Cross-Coupling Reaction ? Nomenclature of Ethers ? Preparation of Amines ? Preparation of Ethers ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Ethers ? Stille Coupling ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling

Historical Records

Related Functional Groups of
[ 2457-47-8 ]

Chlorides

[ 33216-52-3 ]

3,4,5-Trichloropyridine

Similarity: 0.87

[ 626-60-8 ]

3-Chloropyridine

Similarity: 0.85

[ 16063-70-0 ]

2,3,5-Trichloropyridine

Similarity: 0.83

[ 100868-46-0 ]

3,5-Dichloro-4-methylpyridine

Similarity: 0.82

[ 22889-78-7 ]

3,5-Dichloropyridin-4-amine

Similarity: 0.80

Related Parent Nucleus of
[ 2457-47-8 ]

Pyridines