3-Chloro-2-nitrobenzyl alcohol

Base Information

• Chemical Name: 3-Chloro-2-nitrobenzyl alcohol
• CAS No.: 77158-86-2
• Molecular Formula: C7H6ClNO3
• Molecular Weight: 187.583
• Hs Code.: 2906299090
• European Community (EC) Number: 627-312-5
• DSSTox Substance ID: DTXSID30434112
• Nikkaji Number: J3.064.136A
• Wikidata: Q82248435
• Mol file: 77158-86-2.mol

Synonyms:3-Chloro-2-nitrobenzyl alcohol;(3-chloro-2-nitrophenyl)methanol;77158-86-2;3-chloro-2-nitrobenzylalcohol;Benzenemethanol, 3-chloro-2-nitro-;SCHEMBL68857;DTXSID30434112;ZSMDJSXEFYWXPD-UHFFFAOYSA-N;AMY27824;MFCD04038814;AKOS015889295;3-Chloro-2-nitrobenzyl alcohol, 97%;SB84142;BS-50083;EN300-7402709;A856456

Chemical Property of 3-Chloro-2-nitrobenzyl alcohol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 65-69 °C
• Refractive Index: 1.612
• Boiling Point: 319.393 °C at 760 mmHg
• PKA: 13.50±0.10(Predicted)
• Flash Point: 146.964 °C
• PSA: 66.05000
• Density: 1.477 g/cm³
• LogP: 2.26370
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.0036207
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

Polysaccharide>75% ^*data from raw suppliers

3-Chloro-2-nitrobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43
• Safety Statements: 26-36/37-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])CO

Technology Process of 3-Chloro-2-nitrobenzyl alcohol

There total 2 articles about 3-Chloro-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: 88.0%

3-chloro-2-nitro-benzoic acid (4771-47-5) → (3-chloro-2-nitrophenyl)methanol (77158-86-2)

Guidance literature:

With diborane; In tetrahydrofuran; for 2h; Ambient temperature;

DOI:10.1021/jm00063a013

Reference yield:

3-chloro-2-nitrobenzoyl chloride (19088-99-4) → (3-chloro-2-nitrophenyl)methanol (77158-86-2)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmc.2004.02.002

Reference yield: 94.0%

(3-chloro-2-nitrophenyl)methanol (77158-86-2) → 3-chloro-2-nitrobenzaldehyde (22233-52-9)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; Molecular sieve;

upstream raw materials:

3-chloro-2-nitro-benzoic acid

3-chloro-2-nitrobenzoyl chloride

Downstream raw materials:

tert-Butyl-(3-chloro-2-nitro-benzyloxy)-dimethyl-silane

3-(dimethylamino)-2-nitrobenzyl alcohol

3-chloro-2-nitrobenzaldehyde

2-(3-chloro-2-nitro-phenyl)-thiochromen-4-one