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4-Bromo-1-t-butyl-3-methylpyrazole - 95%, high purity , CAS No.1187385-83-6

COA

Grade & Purity:

≥95%

Cas Number: 1187385-83-6
Molecular Weight: 217.1
PubChem CID: 46739714

In stock

Item Number

B179920

Grouped product items
SKU	Size	Availability	Price	Qty
B179920-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$252.90

Basic Description

Synonyms	1187385-83-6 \| 4-Bromo-1-(tert-butyl)-3-methyl-1H-pyrazole \| 4-BROMO-1-T-BUTYL-3-METHYLPYRAZOLE \| 4-bromo-1-tert-butyl-3-methylpyrazole \| 4-Bromo-1-tert-butyl-3-methyl-1H-pyrazole \| SCHEMBL21720382 \| DTXSID90675302 \| MFCD12756448 \| STL588910 \| AKOS015834390 \| BS-23216 \| CS-020
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Aryl halides
    - Subclass Aryl bromides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl bromides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl bromides
Alternative Parents	Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional 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	4-bromo-1-tert-butyl-3-methylpyrazole
INCHI	InChI=1S/C8H13BrN2/c1-6-7(9)5-11(10-6)8(2,3)4/h5H,1-4H3
InChIKey	SVLSAPNQDGCJAL-UHFFFAOYSA-N
Smiles	CC1=NN(C=C1Br)C(C)(C)C
Isomeric SMILES	CC1=NN(C=C1Br)C(C)(C)C
PubChem CID	46739714
Molecular Weight	217.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	217.110 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	216.026 Da
Monoisotopic Mass	216.026 Da
Topological Polar Surface Area	17.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	142.000
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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