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
7-Bromo-5-(trifluoromethyl)-1H-indazole - 97%, high purity , CAS No.1100212-66-5
Discover 7-Bromo-5-(trifluoromethyl)-1H-indazole by Aladdin Scientific in 97% for only $222.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
7-Bromo-5-(trifluoromethyl)-1H-indazole | 1100212-66-5 | MFCD27939136 | 7-Bromo-5-trifluoromethyl-1H-indazole | SCHEMBL2426591 | DTXSID301280852 | AKOS022187469 | DS-8770 | SB13428 | SY099407 | CS-0041312 | A857680
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrazoles
Subclass
Indazoles
Intermediate Tree Nodes
Not available
Direct Parent
Indazoles
Alternative Parents
Benzenoids Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - Aryl bromide - Aryl halide - Benzenoid - Pyrazole - Azole - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
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
7-bromo-5-(trifluoromethyl)-1H-indazole
INCHI
InChI=1S/C8H4BrF3N2/c9-6-2-5(8(10,11)12)1-4-3-13-14-7(4)6/h1-3H,(H,13,14)
InChIKey
KRAPGTPHSWVOAC-UHFFFAOYSA-N
Smiles
C1=C(C=C(C2=C1C=NN2)Br)C(F)(F)F
Isomeric SMILES
C1=C(C=C(C2=C1C=NN2)Br)C(F)(F)F
Molecular Weight
265.03
Reaxy-Rn
18934677
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18934677&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
265.030 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
263.951 Da
Monoisotopic Mass
263.951 Da
Topological Polar Surface Area
28.700 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
221.000
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.
