3-Bromo-5-chloro-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine

Name: 3-Bromo-5-chloro-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine
Brand: ChemScene
Availability: OutOfStock
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CAS No. 866546-10-3
Cat. No. CS-0004208
Purity95+%
MDL No.MFCD11616455

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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3-Bromo-5-chloro-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine|CS-0004208

Structure of 866546-10-3

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General Information

CAS No. 866546-10-3
Cat. No. CS-0004208
Purity 95+%
MDL No. MFCD11616455
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₀BrClN₂O₂S
Molecular Weight 385.66
Synonym(s) 3-bromo-5-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridine
SMILES O=S(N(C=C1Br)C(C1=C2)=NC=C2Cl)(C(C=C3)=CC=C3C)=O

Synthesis

Route1
- 98-59-9
- ~82%
- 866546-10-3
References
- VERTEX PHARMACEUTICALS INCORPORATED? Patent: WO2005/95400 A1, 2005 ; Location in patent: Page/Page column 345; 347 ; WO 2005/095400 A1
Route2
- In-stock
  
  866546-09-0
- 98-59-9
- ~85%
- 866546-10-3
References
- MERCK SHARP and DOHME CORP.; CASH, Brandon; FISCHER, Christian; GARCIA, Yudith; JUNG, Joon; KATZ, Jason; KIM, June; RIVKIN, Alexey; SCHELL, Adam; SIU, Tony; WITTER, David; ZHOU, Hua Patent: WO2011/137022 A1, 2011 ; Location in patent: Page/Page column 31-32 ;
Route3
- In-stock
  
  1072-98-6
- ~%
- 866546-10-3
References
- MERCK SHARP and DOHME CORP.; CASH, Brandon; FISCHER, Christian; GARCIA, Yudith; JUNG, Joon; KATZ, Jason; KIM, June; RIVKIN, Alexey; SCHELL, Adam; SIU, Tony; WITTER, David; ZHOU, Hua Patent: WO2011/137022 A1, 2011 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

TPSA 51.96
LogP 3.99762
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Bromo-5-chloro-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine

CAS No. 866546-10-3

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