4-Amino-3-cyanobenzoic acid

Base Information

Chemical Name:4-Amino-3-cyanobenzoic acid
CAS No.:74192-47-5
Molecular Formula:C8H6N2O2
Molecular Weight:162.148
Hs Code.:2926907090
UNII:AGL5HZL9PF
DSSTox Substance ID:DTXSID40434446
Nikkaji Number:J612.089J
Wikidata:Q82248871
Mol file:74192-47-5.mol

Synonyms:4-AMINO-3-CYANOBENZOIC ACID;74192-47-5;Benzoic acid, 4-amino-3-cyano-;Benzoicacid, 4-amino-3-cyano-;4-amino-3-cyano-benzoic Acid;AGL5HZL9PF;3-Cyano-4-aminobenzoic acid;4-azanyl-3-cyano-benzoic acid;SCHEMBL4026182;DTXSID40434446;SCDUHKOJSMYVPO-UHFFFAOYSA-N;4-AMINO-3-CYANOBENZOICACID;ZCA19247;CL9205;MFCD09745178;AKOS022173476;CS-W006945;DS-7312;SB76098;FT-0702535;EN300-170827;A838055

Suppliers and Price of 4-Amino-3-cyanobenzoic acid

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
4-Amino-3-cyanobenzoicacid
100mg
$ 90.00

TRC
4-Amino-3-cyanobenzoicacid
500mg
$ 350.00

Crysdot
4-Amino-3-cyanobenzoicacid 95+%
5g
$ 470.00

Chemenu
4-amino-3-cyanobenzoicacid 95%
1g
$ 183.00

Chemenu
4-amino-3-cyanobenzoicacid 95%
5g
$ 499.00

American Custom Chemicals Corporation
4-AMINO-3-CYANOBENZOIC ACID 95.00%
5MG
$ 497.70

Ambeed
4-Amino-3-cyanobenzoicacid 95%
10g
$ 614.00

Ambeed
4-Amino-3-cyanobenzoicacid 95%
1g
$ 109.00

Ambeed
4-Amino-3-cyanobenzoicacid 95%
250mg
$ 45.00

Ambeed
4-Amino-3-cyanobenzoicacid 95%
100mg
$ 30.00

Total 15 raw suppliers

Chemical Property of 4-Amino-3-cyanobenzoic acid

Chemical Property:

Boiling Point:404.008 °C at 760 mmHg
Flash Point:198.137 °C
PSA：87.11000
Density:1.417 g/cm³
LogP:1.41988
Storage Temp.:Keep in dark place,Inert atmosphere,Room temperature
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:162.042927438
Heavy Atom Count:12
Complexity:231

Purity/Quality:

97% ^*data from raw suppliers

4-Amino-3-cyanobenzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C(=O)O)C#N)N

Technology Process of 4-Amino-3-cyanobenzoic acid

There total 4 articles about 4-Amino-3-cyanobenzoic acid 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:

: 159847-80-0
4-amino-3-cyanobenzoic acid methyl ester

: 74192-47-5
4-amino-3-cyanobenzoic acid

Guidance literature:: 4-amino-3-cyanobenzoic acid methyl ester; With lithium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 20h;

With hydrogenchloride; In tetrahydrofuran; water; pH=3;

Reference yield:

: 4-amino-1-hydroxy-3-cyano-cyclohexa-2,4-dienecarboxylic acid methyl ester

: 74192-47-5
4-amino-3-cyanobenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: boron trifluoride diethyl etherate / tetrahydrofuran; diethyl ether; toluene / 0.5 h / 85 °C

1.2: 0 °C

2.1: lithium hydroxide; water / tetrahydrofuran / 20 h / 20 °C

2.2: pH 3

With lithium hydroxide; boron trifluoride diethyl etherate; water; In tetrahydrofuran; diethyl ether; toluene;

Reference yield:

: 615-57-6
2,4-dibromo-aniline

: 74192-47-5
4-amino-3-cyanobenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 31 percent / dimethylformamide / 21 h / 140 °C

2: 49 h / 30 °C / phosphate buffer pH 7.0, nitrilase SP 361

In N,N-dimethyl-formamide;