2-Chloro-5-methoxybenzonitrile

Base Information

Chemical Name:2-Chloro-5-methoxybenzonitrile
CAS No.:127667-00-9
Molecular Formula:C8H6ClNO
Molecular Weight:167.595
Hs Code.:2926909090
DSSTox Substance ID:DTXSID30563259
Nikkaji Number:J336.399F
Wikidata:Q82447647
Mol file:127667-00-9.mol

Synonyms:2-CHLORO-5-METHOXYBENZONITRILE;127667-00-9;Benzonitrile, 2-chloro-5-methoxy-;MFCD08061919;SCHEMBL10662281;DTXSID30563259;AMY14464;AKOS006287396;AS-33148;SY111321;CS-0099150;A21144

Suppliers and Price of 2-Chloro-5-methoxybenzonitrile

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

TRC
2-Chloro-5-methoxybenzonitrile
50mg
$ 65.00

Crysdot
2-Chloro-5-methoxybenzonitrile 95+%
5g
$ 215.00

Chemenu
2-chloro-5-methoxybenzonitrile 95%
5g
$ 473.00

Biosynth Carbosynth
2-Chloro-5-methoxybenzonitrile
100 g
$ 170.00

Biosynth Carbosynth
2-Chloro-5-methoxybenzonitrile
25 g
$ 50.00

Biosynth Carbosynth
2-Chloro-5-methoxybenzonitrile
250 g
$ 340.00

Biosynth Carbosynth
2-Chloro-5-methoxybenzonitrile
50 g
$ 90.00

AOBChem
2-Chloro-5-methoxybenzonitrile 97%
25g
$ 385.00

American Custom Chemicals Corporation
2-CHLORO-5-METHOXYBENZONITRILE 95.00%
5MG
$ 503.38

Ambeed
2-Chloro-5-methoxybenzonitrile 98+%
25g
$ 585.00

Total 24 raw suppliers

Chemical Property of 2-Chloro-5-methoxybenzonitrile

Chemical Property:

Vapor Pressure:0.0083mmHg at 25°C
Boiling Point:267.1°C at 760 mmHg
Flash Point:115.4°C
PSA：33.02000
Density:1.25g/cm³
LogP:2.22028
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:167.0137915
Heavy Atom Count:11
Complexity:174

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-5-methoxybenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=C(C=C1)Cl)C#N

Technology Process of 2-Chloro-5-methoxybenzonitrile

There total 6 articles about 2-Chloro-5-methoxybenzonitrile 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: 93.0%

: 1146731-96-5
C₉H₁₀ClNO₂

: 127667-00-9
2-chloro-5-methoxybenzonitrile

Guidance literature:: With [Ru(η⁶-p-cymene)Cl₂]₂; acrylic acid methyl ester; diphenyl acetylene; In isopropyl alcohol; at 100 ℃; for 16h; regioselective reaction; Inert atmosphere;
DOI:10.1039/c3cc41124a

Reference yield:

: 2-chloro-5-methoxybenzaldehyde oxime

: 127667-00-9
2-chloro-5-methoxybenzonitrile

Guidance literature:: With acetic anhydride; triethylamine; In tetrahydrofuran;

Reference yield:

: 623-12-1
4-chloromethoxybenzene

: 127667-00-9
2-chloro-5-methoxybenzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1.1: n-butyllithium / tetrahydrofuran / 2 h / -78 °C

1.2: -78 - 20 °C

2.1: hydroxylamine hydrochloride / ethanol / 4 h / Reflux

3.1: acetic anhydride; triethylamine / tetrahydrofuran

With n-butyllithium; hydroxylamine hydrochloride; acetic anhydride; triethylamine; In tetrahydrofuran; ethanol;