3-Nitrobenzene-1-carbothioamide

Base Information

Chemical Name:3-Nitrobenzene-1-carbothioamide
CAS No.:70102-34-0
Molecular Formula:C7H6N2O2S
Molecular Weight:182.203
Hs Code.:2930909090
European Community (EC) Number:678-929-1
DSSTox Substance ID:DTXSID50506244
Nikkaji Number:J3.031.672J
Wikidata:Q82361915
Mol file:70102-34-0.mol

Synonyms:70102-34-0;3-nitrobenzene-1-carbothioamide;3-nitrobenzothioamide;3-NITRO-THIOBENZAMIDE;3-nitrobenzenecarbothioamide;3-Nitrothiobenzamide;MFCD09757586;3-nitrobenzenethioamide;3-Nitro-thio-benzamide;SCHEMBL2308208;DTXSID50506244;HDQCHDWHHGEXQE-UHFFFAOYSA-N;AKOS009866721;3-Nitrothiobenzamide, 97%, AldrichCPR;AS-75862;SY127401;CS-0202208;EN300-44002;W11583

Suppliers and Price of 3-Nitrobenzene-1-carbothioamide

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
3-Nitrobenzene-1-carbothioamide
250mg
$ 75.00

Crysdot
3-Nitrobenzothioamide 95+%
25g
$ 491.00

American Custom Chemicals Corporation
3-NITROBENZENE-1-CARBOTHIOAMIDE 95.00%
5G
$ 1548.26

American Custom Chemicals Corporation
3-NITROBENZENE-1-CARBOTHIOAMIDE 95.00%
2.5G
$ 1227.82

American Custom Chemicals Corporation
3-NITROBENZENE-1-CARBOTHIOAMIDE 95.00%
1G
$ 852.55

Alfa Aesar
3-Nitrothiobenzamide, 97%
1g
$ 44.70

Alfa Aesar
3-Nitrothiobenzamide, 97%
5g
$ 179.00

AK Scientific
3-Nitrobenzene-1-carbothioamide
1g
$ 89.00

Total 9 raw suppliers

Chemical Property of 3-Nitrobenzene-1-carbothioamide

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:336.339oC at 760 mmHg
Flash Point:157.212oC
PSA：103.93000
Density:1.425g/cm3
LogP:2.45250
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:182.01499861
Heavy Atom Count:12
Complexity:202

Purity/Quality:

99% ^*data from raw suppliers

3-Nitrobenzene-1-carbothioamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)[N+](=O)[O-])C(=S)N

Technology Process of 3-Nitrobenzene-1-carbothioamide

There total 12 articles about 3-Nitrobenzene-1-carbothioamide 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: 94.0%

: 619-24-9
3-nitrobenzonitrile

: 70102-34-0
3-nitrothiobenzamide

Guidance literature:: With diammonium sulfide; 1,6-bis(3-methylimidazolium-1-yl)hexane dichloride; at 70 ℃; for 0.1h;
DOI:10.1007/BF03246065

Reference yield: 77.0%

: 645-09-0
3-nitrobenzamide

: 70102-34-0
3-nitrothiobenzamide

Guidance literature:: 3-nitrobenzamide; With Lawessons reagent; In tetrahydrofuran; 1,2-dimethoxyethane; at 50 ℃; for 2h;

With sodium hydrogencarbonate; In tetrahydrofuran; 1,2-dimethoxyethane; at 20 ℃; for 1h; Product distribution / selectivity;

Reference yield: 74.0%

: 99-61-6
3-nitro-benzaldehyde

: 70102-34-0
3-nitrothiobenzamide

Guidance literature:: With sulfur; ammonium acetate; In N,N-dimethyl-formamide; at 100 ℃; for 6h; Green chemistry;
DOI:10.1080/10426507.2013.769983