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4-Bromo-1-butyl-3-(trifluoromethyl)pyrazole - 95%, high purity , CAS No.1437794-58-5

COA

Grade & Purity:

≥95%

Cas Number: 1437794-58-5
Molecular Weight: 271.1
PubChem CID: 74889304
PubChem SID: 504772364

In stock

Item Number

B181497

Grouped product items
SKU	Size	Availability	Price
B181497-500mg	500mg	2	$35.90
B181497-1g	1g	9	$59.90
B181497-5g	5g	1	$208.90
B181497-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$352.90

Basic Description

Synonyms	1437794-58-5 \| 4-BROMO-1-BUTYL-3-(TRIFLUOROMETHYL)PYRAZOLE \| 4-Bromo-1-butyl-3-(trifluoromethyl)-1H-pyrazole \| C8H10BrF3N2 \| 1H-Pyrazole, 4-bromo-1-butyl-3-(trifluoromethyl)- \| MFCD24448781 \| DTXSID601234139 \| AKOS025287503 \| AM85167 \| DS-9598 \| SY120910 \| CS-0152111 \| N10734 \| A8
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 Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Alkyl halide - Alkyl fluoride - 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

Pubchem Sid	504772364
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772364
IUPAC Name	4-bromo-1-butyl-3-(trifluoromethyl)pyrazole
INCHI	InChI=1S/C8H10BrF3N2/c1-2-3-4-14-5-6(9)7(13-14)8(10,11)12/h5H,2-4H2,1H3
InChIKey	NNCCJUQHKDUBCU-UHFFFAOYSA-N
Smiles	CCCCN1C=C(C(=N1)C(F)(F)F)Br
Isomeric SMILES	CCCCN1C=C(C(=N1)C(F)(F)F)Br
PubChem CID	74889304
Molecular Weight	271.1

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
L1911232	Certificate of Analysis	Jul 09, 2025	B181497
A2419047	Certificate of Analysis	Jan 26, 2024	B181497
L2214816	Certificate of Analysis	Dec 30, 2022	B181497

Chemical and Physical Properties

Molecular Weight	271.080 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	269.998 Da
Monoisotopic Mass	269.998 Da
Topological Polar Surface Area	17.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	186.000
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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