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Cyclohexane-d12 - (D,99.9%), high purity , CAS No.1735-17-7
Basic Description
Synonyms
Cyclohexane-d12 | 1735-17-7 | (2H12)Cyclohexane | 1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuteriocyclohexane | CYCLOHEXANE-1,1,2,2,3,3,4,4,5,5,6,6-D12 | Cyclohexane, d12 | MFCD00044212 | Cyclohexane-d12, >=99.6 atom % D | Cyclohexane D12 >99.5% | Cyclohexane # | EINECS 217-077-3 | (?H?
Specifications & Purity
≥99.9 atom% D
Storage Temp
Protected from light,Room temperature,Desiccated
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Hydrocarbons
Class
Saturated hydrocarbons
Subclass
Cycloalkanes
Intermediate Tree Nodes
Not available
Direct Parent
Cycloalkanes
Alternative Parents
Not available
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Cycloalkane - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
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
Pubchem Sid
504756900
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504756900
IUPAC Name
1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuteriocyclohexane
INCHI
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
InChIKey
XDTMQSROBMDMFD-LBTWDOQPSA-N
Smiles
C1CCCCC1
Isomeric SMILES
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
Alternate CAS
110-82-7（unlabelled）
Molecular Weight
96.23
Reaxy-Rn
1900225
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900225&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic；Light sensitive
Boil Point(°C)
80.7 °C
Melt Point(°C)
6.5°C
Molecular Weight
96.230 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
96.1692 Da
Monoisotopic Mass
96.1692 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
15.500
Isotope Atom Count
12
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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H2412119