2-Nitrobenzyl alcohol

Base Information

• Chemical Name: 2-Nitrobenzyl alcohol
• CAS No.: 612-25-9
• Molecular Formula: C7H7NO3
• Molecular Weight: 153.137
• Hs Code.: 29062900
• European Community (EC) Number: 210-302-6
• NSC Number: 66512
• UNII: 5M66390M78
• DSSTox Substance ID: DTXSID40210101
• Nikkaji Number: J28.537D
• Wikidata: Q27262550
• ChEMBL ID: CHEMBL369485
• Mol file: 612-25-9.mol

Synonyms:Benzylalcohol, o-nitro- (6CI,7CI,8CI);2-Nitrobenzenemethanol;NSC 66512;o-(Hydroxymethyl)nitrobenzene;o-Nitrobenzyl alcohol;

Chemical Property of 2-Nitrobenzyl alcohol

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.00346mmHg at 25°C
• Melting Point: 69-72 °C(lit.)
• Refractive Index: 1.597
• Boiling Point: 270 °C at 760 mmHg
• PKA: 13.77±0.10(Predicted)
• Flash Point: 131.1 °C
• PSA: 66.05000
• Density: 1.33 g/cm³
• LogP: 1.61030
• Storage Temp.: Store below +30°C.
• Sensitive.: Light Sensitive
• Solubility.: soluble in Methanol
• Water Solubility.: Soluble in water 5000 mg/L 20 deg Celsius.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 153.042593085
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99%min ^*data from raw suppliers

2-Nitrobenzyl Alcohol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C, F
• Hazard Codes: Xi,C,F
• Statements: 11-34
• Safety Statements: 22-24/25-45-36/37/39-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: C1=CC=C(C(=C1)CO)[N+](=O)[O-]
• Uses: 2-Nitrobenzyl alcohol is a useful research chemical. The o-nitrobenzyl group (o-NB) is utilized frequently in polymer and materials science. It covers the use of based cross-linkers for photodegradable hydrogels, o-NB side chain functionalization in (block) copolymers, o-NB side chain functionalization for thin film patterning, o-NB for self-assembled monolayers, photo cleavable block copolymers, and photo cleavable bioconjugates.

Technology Process of 2-Nitrobenzyl alcohol

There total 66 articles about 2-Nitrobenzyl alcohol 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: 100.0%

2-nitro-benzaldehyde (552-89-6) → 2-Nitrobenzyl alcohol (612-25-9)

Guidance literature:

With magnesium(II) perchlorate; polymer-bound NADH (2a); In acetonitrile; benzene; at 80 ℃; for 120h; Further byproducts given;

DOI:10.1016/S0040-4039(00)85780-9

Reference yield: 100.0%

methyl 2-nitrobenzoate (606-27-9) → 2-Nitrobenzyl alcohol (612-25-9)

Guidance literature:

With sodium tetrahydroborate; In 1,4-dioxane; water; for 2h; Ambient temperature;

Reference yield: 97.0%

ortho-nitrobenzoic acid (552-16-9,104810-18-6) → 2-Nitrobenzyl alcohol (612-25-9)

Guidance literature:

ortho-nitrobenzoic acid; With 4-methyl-morpholine; 1,3,5-trichloro-2,4,6-triazine; In 1,2-dimethoxyethane; at 20 ℃; for 3h;

With sodium tetrahydroborate; In water; at 0 ℃;

DOI:10.1016/S0040-4039(99)00734-0

upstream raw materials:

1-methyl-2-nitrobenzene

2-nitrobenzyl chloride

aluminum isopropoxide

isopropyl alcohol

Downstream raw materials:

2-nitro-benzaldehyde

2-nitrobenzyl formate

L_g-tartaric acid bis-(2-nitro-benzyl ester)

benz[a]acridine

Refernces

Photoinduced Phosphorylation by <α-(Hydroxyimino)benzyl>phosphonates through Fragmentation to Monomeric Metaphosphates

10.1021/jo00015a040

The research explores the synthesis and photochemical properties of certain phosphonate compounds for phosphorylation reactions. The purpose of the study is to develop mild phosphorylating agents that can operate under conditions compatible with biological systems, potentially at physiological pH. Key chemicals used in the research include methyl hydrogen benzoylphosphonate, thionyl chloride, o-nitrobenzyl alcohol, benzyl alcohol, hydroxylamine, and diazomethane. The researchers synthesized various benzyl esters of [α-(hydroxyimino)benzyl]phosphonic acid and demonstrated that these compounds can undergo photolysis to produce active phosphorylating agents. Upon irradiation, these compounds release the active phosphorylating species, which can then react with alcohols to form phosphodiesters and phosphomonoesters. The study concludes that benzyl α-hydroxyimino phosphonates are efficient precursors for phosphorylating agents and can be used to design novel, mild phosphorylating agents suitable for use in biological contexts.

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