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2-Naphthol-1,3,4,5,6,7,8-d₇ - 97 atom% D, high purity , CAS No.78832-54-9
Basic Description
Synonyms
HY-Y0110S1 | SCHEMBL13915068 | (~2~H_7_)Naphthalen-2-ol | 1,3,4,5,6,7,8-heptadeuterionaphthalen-2-ol | DTXSID30583912 | D99463 | 2-Naphthol-1,3,4,5,6,7,8-d7, 97 atom % D | AKOS015912813 | (?H?)naphthalen-2-ol | 2-Naphthol-1,3,4,5,6,7,8-d7 | 2-naphthol-d7
Specifications & Purity
≥97 atom% D
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Naphthols and derivatives
Alternative Parents
1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
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
1,3,4,5,6,7,8-heptadeuterionaphthalen-2-ol
INCHI
InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H/i1D,2D,3D,4D,5D,6D,7D
InChIKey
JWAZRIHNYRIHIV-GSNKEKJESA-N
Smiles
C1=CC=C2C=C(C=CC2=C1)O
Isomeric SMILES
[2H]C1=C(C(=C2C(=C(C(=C(C2=C1[2H])[2H])[2H])O)[2H])[2H])[2H]
UN Number
3077
Molecular Weight
151.21
Reaxy-Rn
742134
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742134&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Boil Point(°C)
285-286℃ (lit.)
Melt Point(°C)
120-122℃ (lit.)
Molecular Weight
151.210 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
151.101 Da
Monoisotopic Mass
151.101 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
133.000
Isotope Atom Count
7
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
Citations of This Product
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1 Citations