4-Chloro-3-nitrotoluene

Base Information Edit

Chemical Name:4-Chloro-3-nitrotoluene
CAS No.:89-60-1
Molecular Formula:C7H6ClNO2
Molecular Weight:171.583
Hs Code.:29049085
European Community (EC) Number:201-922-8
NSC Number:60721
DSSTox Substance ID:DTXSID9058995
Nikkaji Number:J141.344I
Wikidata:Q72456192
Mol file:89-60-1.mol

Synonyms:4-CHLORO-3-NITROTOLUENE;89-60-1;1-Chloro-4-methyl-2-nitrobenzene;3-Nitro-4-chlorotoluene;Benzene, 1-chloro-4-methyl-2-nitro-;2-Chloro-5-methylnitrobenzene;Toluene, 4-chloro-3-nitro-;1-chloro-4-methyl-2-nitro-benzene;EINECS 201-922-8;NSC 60721;NSC60721;4-chlor-3-nitrotoluen;4,3-Chloronitrotoluene;4-chloro-3-nitro-toluene;SCHEMBL84100;DTXSID9058995;MFCD00007085;NSC-60721;1-chloranyl-4-methyl-2-nitro-benzene;AKOS009159380;CS-W017646;4-Chloro-3-nitrotoluene, technical grade;AC-12204;DS-14605;FT-0618098;EN300-39658;A843245;W-100369;F0001-2195;Z393629992

Suppliers and Price of 4-Chloro-3-nitrotoluene

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-Chloro-3-nitrotoluene
5g
$ 55.00

TCI Chemical
4-Chloro-3-nitrotoluene >97.0%(GC)
25g
$ 48.00

SynQuest Laboratories
1-Chloro-4-methyl-2-nitrobenzene 98%
500 g
$ 461.00

SynQuest Laboratories
1-Chloro-4-methyl-2-nitrobenzene 98%
100 g
$ 111.00

Sigma-Aldrich
4-Chloro-3-nitrotoluene technical grade
100g
$ 87.90

Matrix Scientific
4-Chloro-3-nitrotoluene 95%+
5g
$ 323.00

Matrix Scientific
4-Chloro-3-nitrotoluene 95%+
2.500g
$ 215.00

Matrix Scientific
4-Chloro-3-nitrotoluene 95%+
1g
$ 101.00

Crysdot
1-Chloro-4-methyl-2-nitrobenzene 98%
100g
$ 50.00

Crysdot
1-Chloro-4-methyl-2-nitrobenzene 98%
500g
$ 150.00

Total 64 raw suppliers

Chemical Property of 4-Chloro-3-nitrotoluene Edit

Chemical Property:

Appearance/Colour:clear yellow liquid
Vapor Pressure:0.0156mmHg at 25°C
Melting Point:7 °C
Refractive Index:n20/D 1.558(lit.)
Boiling Point:264.8 °C at 760 mmHg
Flash Point:113.9 °C
PSA：45.82000
Density:1.324 g/cm³
LogP:3.07980
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:171.0087061
Heavy Atom Count:11
Complexity:157

Purity/Quality:

98% ^*data from raw suppliers

4-Chloro-3-nitrotoluene ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,N
Hazard Codes:Xn,N
Statements: 22-36/37/38-20/21/22-52/53-51/53-36/38-33
Safety Statements: 36/37/39-26-61-57-36/37-23-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
Uses 4-Chloro-3-nitrotoluene is used in the synthesis of quinazoline-2,4(1H,3H)-dione derivatives as PARP-2 selective inhibitors. 4-Chloro-3-nitrotoluene was used in the synthesis of 4-(2-hydroxyethylamino)-3-nitrotoluene.

Technology Process of 4-Chloro-3-nitrotoluene

There total 20 articles about 4-Chloro-3-nitrotoluene 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: 87.0%

: 89-62-3
4-methyl-2-nitroaniline

: 89-60-1
1-chloro-4-methyl-2-nitro-benzene

Guidance literature:: 4-methyl-2-nitroaniline; With tert.-butylnitrite; In acetonitrile; at 20 ℃; Flow reactor;

With copper dichloride; In ethylene glycol; acetonitrile; at 82 ℃; Temperature; Flow reactor;
DOI:10.1021/acs.oprd.6b00318

Reference yield: 54.0%

: 106-43-4
para-chlorotoluene

: 89-59-8
4-chloro-2-nitrotoluene

: 89-60-1
1-chloro-4-methyl-2-nitro-benzene

Guidance literature:: With oxygen; Nitrogen dioxide; iron(III)-acetylacetonate; In 1,2-dichloro-ethane; at 0 ℃; for 12h;
DOI:10.1039/P19960002385

Reference yield: 51.0%

: 27329-27-7
4-methyl-2-nitrobenzoic acid

: 89-60-1
1-chloro-4-methyl-2-nitro-benzene

Guidance literature:: With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper (I) acetate; silver sulfate; sodium chloride; In dimethyl sulfoxide; at 160 ℃; for 24h; Schlenk technique;