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1-(4-Boc-Piperazino)-3,5-dibromobenzene - 98%, high purity , CAS No.1121596-44-8

COA

Grade & Purity:

≥98%

Cas Number: 1121596-44-8
Molecular Weight: 420.1
PubChem CID: 53217074

In stock

Item Number

B179447

Grouped product items
SKU	Size	Availability	Price	Qty
B179447-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,443.90
B179447-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,062.90

Basic Description

Synonyms	1-(4-Boc-Piperazino)-3,5-dibromobenzene \| 1121596-44-8 \| tert-Butyl 4-(3,5-dibromophenyl)piperazine-1-carboxylate \| tert-Butyl 4-(3,5-dibromophenyl)-piperazine-1-carboxylate \| SCHEMBL24847031 \| DTXSID80682181 \| WUB59644 \| MFCD11872514 \| AKOS015837002 \| BS-25712 \| CS-0451275 \|
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperazines
Alternative Parents	N-arylpiperazines Piperazine carboxylic acids Dialkylarylamines Aniline and substituted anilines Bromobenzenes Aryl bromides Carbamate esters Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperazine - N-arylpiperazine - Piperazine-1-carboxylic acid - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Tertiary amine - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Carbonyl group - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	tert-butyl 4-(3,5-dibromophenyl)piperazine-1-carboxylate
INCHI	InChI=1S/C15H20Br2N2O2/c1-15(2,3)21-14(20)19-6-4-18(5-7-19)13-9-11(16)8-12(17)10-13/h8-10H,4-7H2,1-3H3
InChIKey	LUTCSDRKBGOXGM-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=CC(=C2)Br)Br
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=CC(=C2)Br)Br
Molecular Weight	420.1
Reaxy-Rn	47229634
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47229634&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	420.140 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	419.987 Da
Monoisotopic Mass	417.989 Da
Topological Polar Surface Area	32.800 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	355.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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