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1-(2-Bromophenyl)carbonyl-4-methylpiperazine - 98%, high purity , CAS No.331845-66-0

COA

Grade & Purity:

≥98%

Cas Number: 331845-66-0
Molecular Weight: 283.2
PubChem CID: 668767

In stock

Item Number

B183765

Grouped product items
SKU	Size	Availability	Price	Qty
B183765-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,566.90

Basic Description

Synonyms	331845-66-0 \| (2-bromophenyl)(4-methylpiperazin-1-yl)methanone \| 1-(2-Bromophenyl)carbonyl-4-methylpiperazine \| (2-bromophenyl)-(4-methylpiperazin-1-yl)methanone \| Oprea1_247031 \| Oprea1_755155 \| (2-Bromo-phenyl)-(4-methyl-piperazin-1-yl)-methanone \| SCHEMBL5218099 \| DTX
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 2-halobenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	2-halobenzoic acids and derivatives
Alternative Parents	Benzamides Benzoyl derivatives N-methylpiperazines Bromobenzenes Aryl bromides Vinylogous halides Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl bromide - Piperazine - Aryl halide - 1,4-diazinane - Vinylogous halide - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
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	(2-bromophenyl)-(4-methylpiperazin-1-yl)methanone
INCHI	InChI=1S/C12H15BrN2O/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3
InChIKey	TUFUJLBGPHVUEW-UHFFFAOYSA-N
Smiles	CN1CCN(CC1)C(=O)C2=CC=CC=C2Br
Isomeric SMILES	CN1CCN(CC1)C(=O)C2=CC=CC=C2Br
Molecular Weight	283.2
Reaxy-Rn	13907102
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13907102&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	283.160 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	282.037 Da
Monoisotopic Mass	282.037 Da
Topological Polar Surface Area	23.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	251.000
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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