Phen-2,3,4,5-d4-ol, 6-nitro-

Base Information

Chemical Name:Phen-2,3,4,5-d4-ol, 6-nitro-
CAS No.:93951-78-1
Molecular Formula:C6H D4 N O3
Molecular Weight:143.079
Hs Code.:
European Community (EC) Number:693-722-6
Mol file:93951-78-1.mol

Synonyms:93951-78-1;2-Nitrophenol-3,4,5,6-d4;Phen-2,3,4,5-d4-ol, 6-nitro-;2,3,4,5-tetradeuterio-6-nitrophenol;nitrophenol-d4;MFCD00142953;2-Nitrophenol-3,4,5,6-d4, 98 atom % D;D98590

Suppliers and Price of Phen-2,3,4,5-d4-ol, 6-nitro-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Medical Isotopes, Inc.
2-Nitrophenol-3,4,5,6-d4
0.25 g
$ 1290.00

Medical Isotopes, Inc.
2-Nitrophenol-3,4,5,6-d4
0.1 g
$ 695.00

Total 6 raw suppliers

Chemical Property of Phen-2,3,4,5-d4-ol, 6-nitro-

Chemical Property:

Melting Point:43-45 °C(lit.)
Flash Point:102 °C
PSA：66.05000
LogP:1.82360
Storage Temp.:Refrigerator, under inert atmosphere
Solubility.:Ethyl Acetate
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:143.052050005
Heavy Atom Count:10
Complexity:131

Purity/Quality:

98% ^*data from raw suppliers

2-Nitrophenol-3,4,5,6-d4 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22-52/53
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)[N+](=O)[O-])O
Isomeric SMILES:[2H]C1=C(C(=C(C(=C1[2H])[N+](=O)[O-])O)[2H])[2H]
Uses 2-Nitrophenol-3,4,5,6-d4 (CAS# 93951-78-1) is a useful isotopically labeled research compound.

Technology Process of Phen-2,3,4,5-d4-ol, 6-nitro-

There total 4 articles about Phen-2,3,4,5-d4-ol, 6-nitro- 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:

: 4165-60-0
nitrobenzene-d5

: 98-95-3,26969-40-4
nitrobenzene

: 100-02-7,78813-13-5,89830-32-0
4-nitro-phenol

: 554-84-7
meta-nitrophenol

: C₆H⁽²⁾H₄NO₃

: 93951-78-1
o-nitrophenol-d₄

: 93951-79-2
4‐nitrophenol‐2,3,5,6‐D4

: 88-75-5,78813-12-4
2-hydroxynitrobenzene

Guidance literature:: With water; oxygen; titanium(IV) oxide; at 25 ℃; for 2h; Irradiation;
DOI:10.1002/asia.201700658

Reference yield:

: 2,3,4,5,O-pentadeuterio-6-nitro-phenol

: 93951-78-1
o-nitrophenol-d₄

Guidance literature:: With water;

Reference yield:

: 4165-60-0
nitrobenzene-d5

: 93951-78-1
o-nitrophenol-d₄

Guidance literature:: Multi-step reaction with 2 steps

1: potassium hydroxide / Behandeln des Reaktionsprodukts mit Dideuterioschwefelsaeure

2: water

With potassium hydroxide; water;