3-Chloro-4-isopropoxyphenylacetonitrile

Base Information

• Chemical Name: 3-Chloro-4-isopropoxyphenylacetonitrile
• CAS No.: 34926-25-5
• Molecular Formula: C11H12 Cl N O
• Molecular Weight: 209.675
• European Community (EC) Number: 252-293-1
• DSSTox Substance ID: DTXSID90188482
• Nikkaji Number: J289.868C
• Wikidata: Q83060284
• Mol file: 34926-25-5.mol

Synonyms:3-Chloro-4-isopropoxyphenylacetonitrile;34926-25-5;EINECS 252-293-1;DTXSID90188482;3-Chloro-4-isopropoxybenzeneacetonitrile

Chemical Property of 3-Chloro-4-isopropoxyphenylacetonitrile

Chemical Property:

• Vapor Pressure: 0.000345mmHg at 25°C
• Boiling Point: 319.2°Cat760mmHg
• Flash Point: 146.8°C
• PSA: 33.02000
• Density: 1.133g/cm³
• LogP: 3.19328
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 209.0607417
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

3-CHLORO-4-ISOPROPOXYPHENYLACETONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=C(C=C(C=C1)CC#N)Cl

Technology Process of 3-Chloro-4-isopropoxyphenylacetonitrile

There total 2 articles about 3-Chloro-4-isopropoxyphenylacetonitrile 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:

2-chloro-4-(chloromethyl)-1-(1-methylethoxy)benzene (32695-20-8) + sodium cyanide (143-33-9,25596-52-5) → 3-chloro-4-isopropoxyphenylacetonitrile (34926-25-5)

Guidance literature:

In dimethyl sulfoxide; at 45 - 50 ℃; for 5h;

Reference yield:

→ 3-chloro-4-isopropoxyphenylacetonitrile (34926-25-5)

Guidance literature:

/BRN= 948855/, NaCN, NaI, abs. Acn. (26-30h auf Wasserbad kochen u. ruehren);

Reference yield:

3-chloro-4-isopropoxyphenylacetonitrile (34926-25-5) → (3-Chloro-4-isopropoxy-phenyl)-acetic acid (23914-90-1)

Guidance literature:

With potassium hydroxide; In ethanol; Yield given; Heating;

upstream raw materials:

2-chloro-4-(chloromethyl)-1-(1-methylethoxy)benzene

sodium cyanide

Downstream raw materials:

(3-Chloro-4-isopropoxy-phenyl)-acetic acid

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