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Bromocyclohexane-d₁₁ - ≥98 atom% D, ≥98% (CP), high purity , CAS No.35558-49-7

COA

Grade & Purity:

≥98 atom% D,≥98%

Cas Number: 35558-49-7
Molecular Weight: 174.12
MDL number: MFCD00190385
PubChem CID: 16213231

In stock

Item Number

B464641

Grouped product items
SKU	Size	Availability	Price	Qty
B464641-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$501.90
B464641-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$567.90

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Isotope-Labeled Compounds (142)

Basic Description

Synonyms	Bromocyclohexane-d11, >=98 atom % D, >=98% (CP) \| HY-W017209S \| SCHEMBL1330950 \| AKOS015915640 \| D99553 \| 1-Bromo(~2~H_11_)cyclohexane \| MS-22933 \| 1-bromo(?H??)cyclohexane \| 1-bromo-1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexane \| Bromocyclohexane-d11 \|
Specifications & Purity	≥98 atom% D,≥98%
Storage Temp	Argon charged

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	Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexyl halide - Hydrocarbon derivative - Organobromide - 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-1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexane
INCHI	InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2/i1D2,2D2,3D2,4D2,5D2,6D
InChIKey	AQNQQHJNRPDOQV-KAFHOZLVSA-N
Smiles	C1CCC(CC1)Br
Isomeric SMILES	[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])Br)([2H])[2H])([2H])[2H])[2H]
Molecular Weight	174.12
Reaxy-Rn	1098373
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098373&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Hygroscopic
Refractive Index	n20/D 1.492 (lit.)
Boil Point(°C)	166-167 °C (lit.)
Molecular Weight	174.120 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	173.073 Da
Monoisotopic Mass	173.073 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	46.100
Isotope Atom Count	11
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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