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Phenol-¹³C₆ - 99 atom% ¹³C, high purity , CAS No.89059-34-7

COA

Grade & Purity:

≥96%(SDS-PAGE)

Cas Number: 89059-34-7
Molecular Weight: 100.07
MDL number: MFCD00145093
PubChem CID: 12205407

In stock

Item Number

P473984

Grouped product items
SKU	Size	Availability	Price	Qty
P473984-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,369.90

Basic Description

Synonyms	SCHEMBL14134295 \| Phenol-13C6 \| Phenol 13C6 \| Phenol-13C6, 99 atom % 13C \| DTXSID90480397 \| AKOS040756191 \| PHENOL (13C6) \| Phenol-1,2,3,4,5,6-13C6; Phenol-13C6 (9CI); [13C6]-Phenol; Phenol (13C6); Phenol 13C6 \| (1,2,3,4,5,6-13C6)cyclohexatrienol
Specifications & Purity	≥99 atom% 13C

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass 1-hydroxy-4-unsubstituted benzenoids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	1-hydroxy-4-unsubstituted benzenoids
Intermediate Tree Nodes	Not available
Direct Parent	1-hydroxy-4-unsubstituted benzenoids
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
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	(1,2,3,4,5,6-13C6)cyclohexatrienol
INCHI	InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey	ISWSIDIOOBJBQZ-IDEBNGHGSA-N
Smiles	C1=CC=C(C=C1)O
Isomeric SMILES	[13CH]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)O
UN Number	1671
Molecular Weight	100.07
Reaxy-Rn	969616
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969616&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	174.2 °F - closed cup
Flash Point(°C)	79 °C - closed cup
Boil Point(°C)	182℃ (lit.)
Melt Point(°C)	40-42℃ (lit.)
Molecular Weight	100.067 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	100.062 Da
Monoisotopic Mass	100.062 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	46.100
Isotope Atom Count	6
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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