Cas no 400-28-2 (2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, (E)-)

2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, (E)-, is a fluorinated unsaturated carboxylic acid characterized by its trifluoromethyl group and trans-configuration (E-isomer). This compound is of interest in synthetic organic chemistry due to its electron-withdrawing properties, which enhance reactivity in conjugate addition and cyclization reactions. The presence of the trifluoromethyl group imparts increased stability and lipophilicity, making it valuable in the design of pharmaceuticals and agrochemicals. Its stereospecific (E)-configuration ensures predictable reactivity in stereoselective transformations. The compound serves as a versatile building block for the synthesis of fluorinated analogs of biologically active molecules, offering potential applications in medicinal chemistry and material science.
2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, (E)- structure
400-28-2 structure
Product Name:2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, (E)-
CAS No:400-28-2
MF:C5H5F3O2
MW:154.087212324142
CID:1511951
PubChem ID:5463458
Update Time:2025-06-06

2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, (E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, (E)-
    • (E)-3-(Trifluoromethyl)crotonic acid
    • 3-(Trifluoromethyl)crotonic acid, AldrichCPR
    • b-trifluoromethylcrotonic acid
    • starbld0000199
    • 3-(Trifluoromethyl)crotonic acid
    • 69056-67-3
    • AKOS005254354
    • CS-0452137
    • 4,4,4-Trifluoro-3-methyl-2-butenoic acid
    • BBL103380
    • F14020
    • F13515
    • EN300-378362
    • MFCD00014374
    • STL557190
    • J-640341
    • 400-28-2
    • (E)-4,4,4-trifluoro-3-methylbut-2-enoic acid
    • SCHEMBL936905
    • (2E)-4,4,4-trifluoro-3-methylbut-2-enoic acid
    • MS-20608
    • MDL： MFCD00014374
    • Inchi： 1S/C5H5F3O2/c1-3(2-4(9)10)5(6,7)8/h2H,1H3,(H,9,10)/b3-2+
    • InChI Key： QRRCTLYMABZQCS-NSCUHMNNSA-N
    • SMILES： FC(/C(=C/C(=O)O)/C)(F)F

Computed Properties

  • Exact Mass: 154.02415
  • Monoisotopic Mass: 154.024
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 168
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3A^2
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.334±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 80-84 oC
  • Flash Point: 85.3±27.3 oC,
  • Solubility: Slightly soluble (9.6 g/l) (25 o C),
  • PSA: 37.3

2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, (E)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1522804-25g
(E)-4,4,4-trifluoro-3-methylbut-2-enoic acid
 400-28-2 98%
25g
 ￥4888.00 2024-05-15
Enamine
EN300-378362-0.05g
(2E)-4,4,4-trifluoro-3-methylbut-2-enoic acid
 400-28-2 95%
0.05g
 $19.0 2023-11-07
Enamine
EN300-378362-0.1g
(2E)-4,4,4-trifluoro-3-methylbut-2-enoic acid
 400-28-2 95%
0.1g
 $22.0 2023-11-07
Enamine
EN300-378362-0.25g
(2E)-4,4,4-trifluoro-3-methylbut-2-enoic acid
 400-28-2 95%
0.25g
 $32.0 2023-11-07
Enamine
EN300-378362-0.5g
(2E)-4,4,4-trifluoro-3-methylbut-2-enoic acid
 400-28-2 95%
0.5g
 $49.0 2023-11-07
Enamine
EN300-378362-1.0g
(2E)-4,4,4-trifluoro-3-methylbut-2-enoic acid
 400-28-2
1g
 $63.0 2023-05-31
Enamine
EN300-378362-2.5g
(2E)-4,4,4-trifluoro-3-methylbut-2-enoic acid
 400-28-2 95%
2.5g
 $80.0 2023-11-07
Enamine
EN300-378362-5.0g
(2E)-4,4,4-trifluoro-3-methylbut-2-enoic acid
 400-28-2
5g
 $98.0 2023-05-31
Enamine
EN300-378362-10.0g
(2E)-4,4,4-trifluoro-3-methylbut-2-enoic acid
 400-28-2
10g
 $174.0 2023-05-31
Enamine
EN300-378362-1g
(2E)-4,4,4-trifluoro-3-methylbut-2-enoic acid
 400-28-2 95%
1g
 $63.0 2023-11-07

2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, (E)- Related Literature

400-28-2 (2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, (E)-) Related Products

Recommended suppliers
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd