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1-bromo-4-(trifluoromethyl)cyclohexane - 97%, high purity , CAS No.30129-20-5

COA

Grade & Purity:

≥97%

Cas Number: 30129-20-5
Molecular Weight: 231.05
EC Number: 829-775-0
PubChem CID: 64753896

In stock

Item Number

B633556

Grouped product items
SKU	Size	Availability	Price
B633556-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90
B633556-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$239.90
B633556-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90
B633556-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$599.90
B633556-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,001.90

Basic Description

Synonyms	CTEBWBSBKSFIMN-UHFFFAOYSA-N \| SY217636 \| MFCD20410249 \| SCHEMBL17892081 \| AKOS014081850 \| PS-16475 \| 1-bromo-4-(trifluoromethyl)cyclohexane \| EN300-309543 \| F70990
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Alkyl halides
    - Subclass Cyclohexyl halides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Alkyl halides
Subclass	Cyclohexyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Cyclohexyl halides
Alternative Parents	Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexyl halide - Hydrocarbon derivative - Organofluoride - Organobromide - Alkyl fluoride - Alkyl bromide - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom.
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	1-bromo-4-(trifluoromethyl)cyclohexane
INCHI	InChI=1S/C7H10BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h5-6H,1-4H2
InChIKey	CTEBWBSBKSFIMN-UHFFFAOYSA-N
Smiles	C1CC(CCC1C(F)(F)F)Br
Isomeric SMILES	C1CC(CCC1C(F)(F)F)Br
Alternate CAS	30129-20-5
PubChem CID	64753896
Molecular Weight	231.05

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	231.050 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	229.992 Da
Monoisotopic Mass	229.992 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	124.000
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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