4,4,4-Trifluoro-3-methyl-2-butenoic acid

Base Information

Chemical Name:4,4,4-Trifluoro-3-methyl-2-butenoic acid
CAS No.:69056-67-3
Molecular Formula:C5H5 F3 O2
Molecular Weight:154.089
Hs Code.:2916190090
European Community (EC) Number:627-003-5
Nikkaji Number:J2.564.278C,J2.451.466H
Mol file:69056-67-3.mol

Synonyms:3-(Trifluoromethyl)crotonic acid;69056-67-3;4,4,4-Trifluoro-3-methyl-2-butenoic acid;(E)-4,4,4-trifluoro-3-methylbut-2-enoic acid;400-28-2;(2E)-4,4,4-trifluoro-3-methylbut-2-enoic acid;(E)-3-(Trifluoromethyl)crotonic acid;MFCD00014374;starbld0000199;b-trifluoromethylcrotonic acid;SCHEMBL936905;BBL103380;STL557190;3-(Trifluoromethyl)-cis-crotonic acid;AKOS005254354;MS-20608;CS-0452137;3-(Trifluoromethyl)crotonic acid, AldrichCPR;EN300-378362;F13515;F14020;J-640341

Suppliers and Price of 4,4,4-Trifluoro-3-methyl-2-butenoic 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
3-(Trifluoromethyl)crotonicAcid
100mg
$ 60.00

SynQuest Laboratories
4,4,4-Trifluoro-3-methyl-2-butenoic acid 97%
5 g
$ 69.00

SynQuest Laboratories
4,4,4-Trifluoro-3-methyl-2-butenoic acid 97%
25 g
$ 276.00

Apolloscientific
3-(Trifluoromethyl)crotonicacid 95%
5g
$ 95.00

Apolloscientific
3-(Trifluoromethyl)crotonicacid 95%
25g
$ 360.00

American Custom Chemicals Corporation
4,4,4-TRIFLUORO-3-METHYL-2-BUTENOIC ACID 95.00%
25G
$ 1426.19

American Custom Chemicals Corporation
4,4,4-TRIFLUORO-3-METHYL-2-BUTENOIC ACID 95.00%
5G
$ 871.97

Alfa Aesar
3-(Trifluoromethyl)crotonic acid, 96%
25g
$ 294.00

Alfa Aesar
3-(Trifluoromethyl)crotonic acid, 96%
5g
$ 77.60

AK Scientific
4,4,4-Trifluoro-3-methyl-2-butenoicacid
100g
$ 2215.00

Total 15 raw suppliers

Chemical Property of 4,4,4-Trifluoro-3-methyl-2-butenoic acid

Chemical Property:

Vapor Pressure:0.0507mmHg at 25°C
Melting Point:28-30 °C(lit.)
Refractive Index:1.3850
Boiling Point:158-163 °C(lit.)
PKA:3.59±0.33(Predicted)
Flash Point:175 °F
PSA：37.30000
Density:1.318 g/mL at 25 °C(lit.)
LogP:1.57960
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:154.02416388
Heavy Atom Count:10
Complexity:168

Purity/Quality:

99%, ^*data from raw suppliers

3-(Trifluoromethyl)crotonicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): C
Hazard Codes:C
Statements: 34
Safety Statements: 26-27-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CC(=O)O)C(F)(F)F
Isomeric SMILES:C/C(=C\C(=O)O)/C(F)(F)F

Technology Process of 4,4,4-Trifluoro-3-methyl-2-butenoic acid

There total 3 articles about 4,4,4-Trifluoro-3-methyl-2-butenoic 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: 61.0%