Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-

Base Information

• Chemical Name: Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-
• CAS No.: 13350-16-8
• Molecular Formula: C9H6ClNO3
• Molecular Weight: 211.6018
• NSC Number: 310192
• UNII: LTB6TF6Y8F
• DSSTox Substance ID: DTXSID80158139
• Wikidata: Q83026290

Synonyms:13350-16-8;Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-;4-chloro-2-nitro-1-prop-2-ynoxybenzene;NSC-310192;NSC310192;NSC 310192;AI3-28708;LTB6TF6Y8F;4-chloro-2-nitro-1-(prop-2-ynyloxy)benzene;SCHEMBL608760;DTXSID80158139;4-Chloro-2-nitrophenyl propargyl ether;Ro-5-1557;2-Nitro-4-chlorophenyl 2-propynyl ether;4-Chloro-2-nitrophenyl 2-propynyl ether;Ether, 4-chloro-2-nitrophenyl 2-propynyl;4-Chloro-2-nitro-1-(2-propyn-1-yloxy)benzene;4-CHLORO-2-NITRO-1-(2-PROPYNYLOXY)BENZENE

Chemical Property of Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-

Chemical Property:

• Vapor Pressure: 0.000313mmHg at 25°C
• Boiling Point: 330.8°Cat760mmHg
• Flash Point: 153.8°C
• Density: 1.373g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 211.0036207
• Heavy Atom Count: 14
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCOC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Technology Process of Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)-

There total 2 articles about Benzene, 4-chloro-2-nitro-1-(2-propynyloxy)- 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: 70.0%

p-chloro-o-nitrophenol (89-64-5) + propargyl bromide (106-96-7) → 4-chloro-2-nitro-1-(prop-2-ynyloxy)benzene (13350-16-8)

Guidance literature:

With potassium carbonate; In acetone; for 16h; Heating;

DOI:10.1021/jo048212s

Reference yield:

→ 4-chloro-2-nitro-1-(prop-2-ynyloxy)benzene (13350-16-8)

Guidance literature:

Phenol, Alkyl.;

Reference yield: 91.0%

4-chloro-2-nitro-1-(prop-2-ynyloxy)benzene (13350-16-8) → 5-chloro-2-(prop-2-ynyloxy)phenylamine (849064-76-2)

Guidance literature:

With iron(III) chloride; iron; acetic acid; In ethanol; for 5h; Heating;

DOI:10.1021/jo061229l

upstream raw materials:

p-chloro-o-nitrophenol

propargyl bromide

Downstream raw materials:

5-chloro-2-(prop-2-ynyloxy)phenylamine

4-[4-(4-chloro-2-nitrophenoxy)-2-butynyl]morpholine

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