3-Amino-4-chlorobenzotrifluoride

Base Information Edit

Chemical Name:3-Amino-4-chlorobenzotrifluoride
CAS No.:121-50-6
Molecular Formula:C7H5ClF3N
Molecular Weight:195.572
Hs Code.:29214300
European Community (EC) Number:204-475-7
NSC Number:10318
UNII:7XBP8297PJ
DSSTox Substance ID:DTXSID1059525
Nikkaji Number:J10.749B
Wikidata:Q72434339
ChEMBL ID:CHEMBL528932
Mol file:121-50-6.mol

Synonyms:3-Amino-4-chlorobenzotrifluoride;121-50-6;2-Chloro-5-(trifluoromethyl)aniline;2-Chloro-5-trifluoromethylaniline;Benzenamine, 2-chloro-5-(trifluoromethyl)-;Fast Orange Salt RD;Orange Salt NRD;Daito Orange Salt RD;Diazo Fast Orange RD;Fast Orange Salt RDA;Fast Orange Salt RDN;Fast Orange RD Salt;Sanyo Fast Orange Salt RD;4-Chloro-3-aminobenzotrifluoride;Azoene Fast Orange RD Salt;USAF MA-13;Hiltosal Fast Orange RD Salt;6-Chloro-3-(trifluoromethyl)aniline;2-chloro-5-(trifluoromethyl)benzenamine;6-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine;C.I. 37050;NSC 10318;CCRIS 2816;EINECS 204-475-7;2-chloro-5-trifluoromethyl-phenylamine;BRN 0879910;AI3-26183;7XBP8297PJ;3-Amino-4-chloro-alpha,alpha,alpha-trifluorotoluene;NSC-10318;m-TOLUIDINE, 6-CHLORO-alpha,alpha,alpha-TRIFLUORO-;4-12-00-01852 (Beilstein Handbook Reference);m-Toluidine, 6-chloro-.alpha.,.alpha.,.alpha.-trifluoro-;MFCD00007673;4-CHLORO-3-AMINO TRIFLUOROTOLUENE;CI 37050;WLN: ZR BG EXFFF;UNII-7XBP8297PJ;Color Index No. 37050;Color Index Number 37050;Colour Index No. 37050;Colour Index Number 37050;SCHEMBL330390;CHEMBL528932;DTXSID1059525;2-chloro-5-trifluoromethylanilin;2-chloro-5-trifluoromethyl aniline;2-chloro-5-trifluoromethyl-aniline;NSC10318;PC1060;STL281874;AKOS000119306;4-CHLOR-3-AMINOBENZOTRIFLUORIDE;AC-3672;AM61307;CS-W010614;PS-8282;1-amino-2-chloro-5-trifluoromethylbenzene;LS-154345;A0948;A2560;FT-0614971;FT-0659290;EN300-18346;5-(3,5-DICHLOROPHENOXY)-2-FUROICACID;D77708;6-Chloro-.alpha.,.alpha.-trifluoro-m-toluidine;3-Amino-4-chloro-.alpha.,.alpha.-trifluorotoluene;W-108456;2-Chloro-5-(trifluoromethyl)aniline, >=98.0% (GC);Z57117627;6-Chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-toluidine;F5608-0076;3-Amino-4-chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene

Suppliers and Price of 3-Amino-4-chlorobenzotrifluoride

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
2-Chloro-5-trifluoromethylaniline
500mg
$ 45.00

TCI Chemical
3-Amino-4-chlorobenzotrifluoride >98.0%(GC)
500g
$ 359.00

TCI Chemical
3-Amino-4-chlorobenzotrifluoride >98.0%(GC)
25g
$ 45.00

SynQuest Laboratories
3-Amino-4-chlorobenzotrifluoride 98%
100 g
$ 16.00

SynQuest Laboratories
3-Amino-4-chlorobenzotrifluoride 98%
500 g
$ 56.00

Sigma-Aldrich
3-Amino-4-chlorobenzotrifluoride for synthesis
50 mL
$ 99.90

Sigma-Aldrich
3-Amino-4-chlorobenzotrifluoride
8417720050
$ 104.00

Matrix Scientific
3-Amino-4-chlorobenzotrifluoride 95%+
5g
$ 323.00

Matrix Scientific
3-Amino-4-chlorobenzotrifluoride 95%+
2.500g
$ 215.00

Matrix Scientific
3-Amino-4-chlorobenzotrifluoride 95%+
1g
$ 101.00

Total 126 raw suppliers

Chemical Property of 3-Amino-4-chlorobenzotrifluoride Edit

Chemical Property:

Appearance/Colour:clear colorless to light yellow liquid
Vapor Pressure:0.219mmHg at 25°C
Melting Point:10 °C
Refractive Index:n20/D 1.499(lit.)
Boiling Point:208 °C at 760 mmHg
PKA:1.43±0.10(Predicted)
Flash Point:79.6 °C
PSA：26.02000
Density:1.428 g/cm³
LogP:3.52220
Storage Temp.:Store below +30°C.
Solubility.:11g/l
Water Solubility.:11 g/L (60 ºC)
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:195.0062613
Heavy Atom Count:12
Complexity:159

Purity/Quality:

≥99% ^*data from raw suppliers

2-Chloro-5-trifluoromethylaniline ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,Xi,N
Hazard Codes:Xn,Xi,N
Statements: 20/21/22-51/53-36/37/38
Safety Statements: 36/37-60-57-36/37/39-26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C(F)(F)F)N)Cl
Uses 2-Chloro-5-trifluoromethylaniline

Technology Process of 3-Amino-4-chlorobenzotrifluoride

There total 8 articles about 3-Amino-4-chlorobenzotrifluoride 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: 90.0%

: 121-17-5
2-chloro-3-nitro-5-trifluoromethylbenzene

: 121-50-6
3-amino-4-chlorobenzotrifluoride

Guidance literature:: With aluminum oxide; sodium hydrogensulfide; for 0.0666667h; microwave irradiation;
DOI:10.1081/SCC-120006470

Reference yield: 85.0%

: 121-17-5
2-chloro-3-nitro-5-trifluoromethylbenzene

: N,N'-Bis-(2-chloro-5-trifluoromethyl-phenyl)-diazene N-oxide

: 121-50-6
3-amino-4-chlorobenzotrifluoride

Guidance literature:: With carbon monoxide; hexasulfonated 2,2'-bis-diphenylphosphinomethylene binaphthyl; palladium dichloride; In water; xylene; at 100 ℃; for 20h; under 90007.2 Torr; Yields of byproduct given;
DOI:10.1016/0040-4039(95)02003-8

Reference yield: 77.0%

: 328-84-7
1,2-dichloro-4-(trifluoromethyl)benzene

: 39885-50-2
2-chloro-4-(trifluoromethyl)aniline

: 121-50-6
3-amino-4-chlorobenzotrifluoride

Guidance literature:: With potassium fluoride; ammonia; In 1-methyl-pyrrolidin-2-one; at 245 - 250 ℃; for 10h; under 22067.2 - 29422.9 Torr; Autoclave;