4-(Chlorodifluoromethyl)benzonitrile

Base Information

Chemical Name:4-(Chlorodifluoromethyl)benzonitrile
CAS No.:51012-21-6
Molecular Formula:C8H4ClF2N
Molecular Weight:187.576
Hs Code.:2926909090
DSSTox Substance ID:DTXSID90471669
Mol file:51012-21-6.mol

Synonyms:4-(chlorodifluoromethyl)benzonitrile;51012-21-6;4-(Chloro-difluoro-methyl)-benzonitrile;4-[chloro(difluoro)methyl]benzonitrile;4-chlorodifluoromethylbenzonitrile;DTXSID90471669;HMHWTRCQAAXYJB-UHFFFAOYSA-N;MFCD04972712;AKOS006343720;CS-0360152;F10432;A828393

Suppliers and Price of 4-(Chlorodifluoromethyl)benzonitrile

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-(Chlorodifluoromethyl)benzonitrile
100mg
$ 165.00

SynQuest Laboratories
4-(Chlorodifluoromethyl)benzonitrile 98%
1 g
$ 708.00

Crysdot
4-(Chlorodifluoromethyl)benzonitrile 97%
1g
$ 564.00

CHESS?
SG000384:4-(Chloro-difluoro-methyl)-benzonitrile 98
1 g
$ 420.00

CHESS?
SG000384:4-(Chloro-difluoro-methyl)-benzonitrile 98
5 g
$ 1140.00

American Custom Chemicals Corporation
4-(CHLORO-DIFLUORO-METHYL)-BENZONITRILE 95.00%
1G
$ 883.11

American Custom Chemicals Corporation
4-(CHLORO-DIFLUORO-METHYL)-BENZONITRILE 95.00%
250MG
$ 686.65

Total 8 raw suppliers

Chemical Property of 4-(Chlorodifluoromethyl)benzonitrile

Chemical Property:

Vapor Pressure:0.042mmHg at 25°C
Refractive Index:1.503
Boiling Point:238.7°Cat760mmHg
Flash Point:98.2°C
PSA：23.79000
Density:1.35g/cm³
LogP:2.84638
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:187.0000331
Heavy Atom Count:12
Complexity:200

Purity/Quality:

98%Min ^*data from raw suppliers

4-(Chlorodifluoromethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 20/21/22-36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)C(F)(F)Cl
Uses 4-(Chlorodifluoromethyl)benzonitrile

Technology Process of 4-(Chlorodifluoromethyl)benzonitrile

There total 5 articles about 4-(Chlorodifluoromethyl)benzonitrile 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: 75.0%

: 160911-79-5
4-(Ethylsulfanyl-difluoro-methyl)-benzonitrile

: 455-18-5
4-CF₃C₆H₄CN

: 51012-21-6
4-(Chloro-difluoro-methyl)-benzonitrile

Guidance literature:: With bromine trifluoride; In trichlorofluoromethane; at 0 ℃;
DOI:10.1039/c39940002081

Reference yield:

: 619-65-8,333406-09-0
4-cyanobenzoic Acid

: 51012-21-6
4-(Chloro-difluoro-methyl)-benzonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: 1) SO₂Cl

2: 6H₄P(S)S>2

3: BrF₃ / CCl₃F / 0 °C

4: 15 percent / BrF₃, CFCl₃ / 0 °C

With Lawessons reagent; sulfuryl dichloride; bromine trifluoride; trichlorofluoromethane; In trichlorofluoromethane;
DOI:10.1039/c39940002081

Reference yield:

: 160911-73-9
S-ethyl 4-cyanobenzothioate

: 51012-21-6
4-(Chloro-difluoro-methyl)-benzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: 6H₄P(S)S>2

2: BrF₃ / CCl₃F / 0 °C

3: 15 percent / BrF₃, CFCl₃ / 0 °C

With Lawessons reagent; bromine trifluoride; trichlorofluoromethane; In trichlorofluoromethane;
DOI:10.1039/c39940002081