1-Ethynyl-4-nitrobenzene

Base Information Edit

Chemical Name:1-Ethynyl-4-nitrobenzene
CAS No.:937-31-5
Molecular Formula:C8H5NO2
Molecular Weight:147.133
Hs Code.:29049090
European Community (EC) Number:804-971-9
NSC Number:71089
DSSTox Substance ID:DTXSID90239544
Nikkaji Number:J503.244J
Wikidata:Q72495235
Mol file:937-31-5.mol

Synonyms:1-Ethynyl-4-nitrobenzene;937-31-5;4-Nitrophenylacetylene;Benzene, 1-ethynyl-4-nitro-;1-Ethynyl-4-nitro-benzene;p-nitrophenylacetylene;MFCD00024794;25569-47-5;(4-Nitrophenyl)ethyne;(p-Nitrophenyl)acetylene;1-Nitro-4-ethynylbenzene;4-Ethynyl-1-nitrobenzene;4-Ethynylnitrobenzene;4-Nitroethynylbenzene;(4-Nitrophenyl)acetylene;NSC71089;p-Nitrophenylacetylen;NSC 71089;p-nitrophenylacetylide;p-nitro phenylacetylene;4-Ethynyl-nitrobenzene;4-nitro-phenylacetylene;4-nitro-1-ethynylbenzene;NCIOpen2_000568;SCHEMBL298355;DTXSID90239544;1-Ethynyl-4-nitrobenzene, 97%;SCIEXCH POD_31/0673;BCP14406;NSC-71089;AKOS004903729;AB01446;CS-W004674;GS-3403;SY018215;E1223;FT-0619274;EN300-42756;A19338;J-515883;Z431535574

Suppliers and Price of 1-Ethynyl-4-nitrobenzene

Supply Marketing:Edit

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
4-Nitrophenylacetylene
10g
$ 965.00

TCI Chemical
1-Ethynyl-4-nitrobenzene >98.0%(GC)
5g
$ 147.00

TCI Chemical
1-Ethynyl-4-nitrobenzene >98.0%(GC)
1g
$ 45.00

SynQuest Laboratories
4-Nitrophenylacetylene
1 g
$ 32.00

SynQuest Laboratories
4-Nitrophenylacetylene
5 g
$ 103.00

SynQuest Laboratories
4-Nitrophenylacetylene
25 g
$ 304.00

Sigma-Aldrich
1-Ethynyl-4-nitrobenzene 97%
1g
$ 148.00

Sigma-Aldrich
1-Ethynyl-4-nitrobenzene 97%
5g
$ 604.00

Medical Isotopes, Inc.
4-Nitrophenylacetylene
5 g
$ 590.00

Frontier Specialty Chemicals
1-Ethynyl-4-nitrobenzene 97%
1g
$ 207.00

Total 79 raw suppliers

Chemical Property of 1-Ethynyl-4-nitrobenzene Edit

Chemical Property:

Appearance/Colour:Light yellow solid
Vapor Pressure:0.0423mmHg at 25°C
Melting Point:148-150 °C(lit.)
Refractive Index:1.579
Boiling Point:246.6 °C at 760 mmHg
Flash Point:112.5 °C
PSA：45.82000
Density:1.22 g/cm³
LogP:2.09930
Storage Temp.:Amber Vial, -20°C Freezer
Solubility.:Ethanol, Ether
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:147.032028402
Heavy Atom Count:11
Complexity:190

Purity/Quality:

98% ^*data from raw suppliers

4-Nitrophenylacetylene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C#CC1=CC=C(C=C1)[N+](=O)[O-]
Uses 4-Nitrophenylacetylene (cas# 937-31-5) is a compound useful in organic synthesis.

Technology Process of 1-Ethynyl-4-nitrobenzene

There total 77 articles about 1-Ethynyl-4-nitrobenzene 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: 99.0%

: 75867-38-8
4-nitro-1-(trimethylsilylethynyl)benzene

: 937-31-5
(4-Nitrophenyl)acetylene

Guidance literature:: With potassium carbonate; In methanol; at 20 ℃; for 1h;

Reference yield: 99.0%

: 619-73-8
4-nitrobenzyl chloride

: 90965-06-3
dimethyl 1-(1-diazo-2-oxopropyl)phosphonate

: 937-31-5
(4-Nitrophenyl)acetylene

Guidance literature:: 4-nitrobenzyl chloride; With manganese(IV) oxide; In tetrahydrofuran; at 20 ℃; for 4h;

dimethyl 1-(1-diazo-2-oxopropyl)phosphonate; With potassium carbonate; In tetrahydrofuran; methanol; at 20 ℃;
DOI:10.1016/j.tet.2005.12.077