The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
4-Bromo-1-isopentylpyrazole - 98%, high purity , CAS No.847818-48-8
Discover 4-Bromo-1-isopentylpyrazole by Aladdin Scientific in 98% for only $850.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-Bromo-1-isopentylpyrazole | 847818-48-8 | 4-Bromo-1-isopentyl-1H-pyrazole | 4-BROMO-1-(3-METHYLBUTYL)PYRAZOLE | 4-Bromo-1-(3-methylbutyl)-1H-pyrazole | DTXSID40631519 | XIB81848 | MFCD12026053 | AKOS010259232 | BS-23218 | CS-0456196 | A863996 | F2147-6942
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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
Data sources
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.
Names and Identifiers
IUPAC Name
4-bromo-1-(3-methylbutyl)pyrazole
INCHI
InChI=1S/C8H13BrN2/c1-7(2)3-4-11-6-8(9)5-10-11/h5-7H,3-4H2,1-2H3
InChIKey
PSQJFVJRFQJOBI-UHFFFAOYSA-N
Smiles
CC(C)CCN1C=C(C=N1)Br
Isomeric SMILES
CC(C)CCN1C=C(C=N1)Br
Molecular Weight
217.1
Reaxy-Rn
9899752
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9899752&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
217.110 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
216.026 Da
Monoisotopic Mass
216.026 Da
Topological Polar Surface Area
17.800 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
117.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
