2-Naphthol-1,3,4,5,6,7,8-d7

Base Information

• Chemical Name: 2-Naphthol-1,3,4,5,6,7,8-d7
• CAS No.: 78832-54-9
• Molecular Formula: C10HD7O
• Molecular Weight: 151.117
• European Community (EC) Number: 688-567-6
• DSSTox Substance ID: DTXSID30583912
• Nikkaji Number: J2.182.760F
• Wikidata: Q82475523
• Mol file: 78832-54-9.mol

Synonyms:2-Naphthol-1,3,4,5,6,7,8-d7;78832-54-9;2-naphthol-d7;1,3,4,5,6,7,8-heptadeuterionaphthalen-2-ol;(~2~H_7_)Naphthalen-2-ol;(?H?)naphthalen-2-ol;SCHEMBL13915068;DTXSID30583912;HY-Y0110S1;AKOS015912813;CS-0564270;D99463;2-Naphthol-1,3,4,5,6,7,8-d7, 97 atom % D

Chemical Property of 2-Naphthol-1,3,4,5,6,7,8-d7

Chemical Property:

• Vapor Pressure: 0.00162mmHg at 25°C
• Melting Point: 120-122 °C(lit.)
• Refractive Index: 1.677
• Boiling Point: 285.5 °C at 760 mmHg
• Flash Point: 144 °C
• PSA: 20.23000
• Density: 1.239g/cm³
• LogP: 2.54540
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 151.101452096
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

2-Naphthol-d7 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,N
• Statements: 22-36/37/38-50-20/22
• Safety Statements: 26-36-61-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical 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]
• Uses: 2-Naphthol-d7 has been used as a reactant for the preparation of stable isotope-labeled internal standards of PAH metabolites from urine of smokers and nonsmokers.

Technology Process of 2-Naphthol-1,3,4,5,6,7,8-d7

There total 1 articles about 2-Naphthol-1,3,4,5,6,7,8-d7 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

naphthalene-d8 (1146-65-2) → 1-naphthol-d7 (124251-84-9) + 2-Formylcinnamaldehyde-d6 + 2-naphthol-1,3,4,5,6,7,8-d7 (78832-54-9)

Guidance literature:

With air; uranyl(VI) perchlorate; phosphoric acid; In water; acetonitrile; at 23 ℃; Rate constant; Irradiation;

DOI:10.1021/jp962961z

Reference yield: 98.0%

aniline (62-53-3) + 2-naphthol-1,3,4,5,6,7,8-d7 (78832-54-9) → Sudan I-d6 (1014689-14-5)

Guidance literature:

aniline; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃;

2-naphthol-1,3,4,5,6,7,8-d7; With sodium hydroxide; In water; for 0.5h; Further stages.; cooling;

DOI:10.1055/s-2008-1032036

Reference yield: 89.0%

aniline yellow (60-09-3) + 2-naphthol-1,3,4,5,6,7,8-d7 (78832-54-9) → Sudan III-d6 (1014689-17-8)

Guidance literature:

aniline yellow; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃;

2-naphthol-1,3,4,5,6,7,8-d7; With sodium hydroxide; In water; for 0.5h; Further stages.; cooling;

DOI:10.1055/s-2008-1032036

upstream raw materials:

naphthalene-d8

Downstream raw materials:

1,1'-bi-2-naphthol

Para Red-d6

Sudan III-d6

Sudan I-d6

Refernces