Encyclopedia / Pharmaceutical Intermediates

2-(TRIFLUOROMETHYL)PROPENE

CAS：374-00-5
MW:110.079
MF：C4H5F3

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Names and ldentifier
Safety and Handling
Msds
NMR Spectrum
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2-(TRIFLUOROMETHYL)PROPENE

1.2 Synonyms: 2-(TRIFLUOROMETHYL)PROPENE; 3,3,3-Trifluoro-2-methyl-1-propene; 3,3,3-Trifluoro-2-methylpropene; CH3C(CF3)=CH2; Propene, 3,3,3-trifluoro-2-methyl-;

1.3 CAS No.: 374-00-5

1.4 CID: 136214

1.5 Molecular Formula: C4H5F3

1.6 Inchi: InChI=1S/C4H5F3/c1-3(2)4(5,6)7/h1H2,2H3

1.7 InChkey: VJOAJCOCCYFXPR-UHFFFAOYSA-N

1.8 Canonical Smiles: CC(=C)C(F)(F)F

1.9 Isomers Smiles: CC(=C)C(F)(F)F

2. Safety and Handling

2.1 Safety: Hazard Codes FRisk Statements 12Safety Statements 9-16-33RIDADR 3161Hazard Note FlammableHazardClass 2.2

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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4. NMR Spectrum

Mass spectrum (electron ionization)

5. Synthesis Route

374-00-5Total: 10 Synthesis Route

79-41-4 48 Suppliers

374-00-5 6 Suppliers

507-52-8 12 Suppliers

374-00-5 6 Suppliers

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6. Precursor and Product

precursor:

79-41-4

73572-26-6

23730-34-9

73572-25-5

78801-85-1

76-05-1

64-19-7

26653-47-4

30596-27-1

507-52-8

product:

88257-94-7

7. Computed Properties

Molecular Weight：110.079g/mol
Molecular Formula：C₄H₅F₃
Compound Is Canonicalized：True
Exact Mass：2.6
XLogP3-AA：110.03433465
Monoisotopic Mass：110.03433465
Complexity：79.4
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：0
Heavy Atom Count：：7
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBgAYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGQAAAAAADACAABACAAAAAACAAgBCAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==