Cas no 160542-02-9 (1-Ethynyl-4-(trifluoromethoxy)benzene)

1-Ethynyl-4-(trifluoromethoxy)benzene structure
160542-02-9 structure
Product Name:1-Ethynyl-4-(trifluoromethoxy)benzene
CAS No:160542-02-9
MF:C9H5F3O
MW:186.130613088608
MDL:MFCD03094333
CID:109522
PubChem ID:2778494
Update Time:2025-09-27

1-Ethynyl-4-(trifluoromethoxy)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-Ethynyl-4-(trifluoromethoxy)benzene
    • 4-(Trifluoromethoxy)phenylacetylene
    • Benzene,1-ethynyl-4-(trifluoromethoxy)-
    • 1-ethynyl-4-trifluoromethoxybenzene
    • 1-Ethynyl-4-(trifluoromethoxy)
    • 1-ETHYNYL-4-(TRIFLUOROMETHOXY)-BENZENE
    • 4-ETHYNYL-1-(TRIFLUOROMETHOXY) BENZENE
    • 1-Ethynyl-4-(trifluoromethoxy)benzene, 4-Ethynyl-alpha,alpha,alpha-trifluoroanisole
    • 4-(Trifluoromethoxy)phenylacetylene 97%
    • Benzene, 1-ethynyl-4-(trifluoroMethoxy)-
    • 1-ethynyl-4-(trifluoromethoxy) benzene
    • YCWREBCXDMRXTQ-UHFFFAOYSA-N
    • E1170
    • PS-8484
    • EN300-1930968
    • J-009732
    • CS-0042925
    • SY050862
    • FT-0691043
    • SCHEMBL40631
    • MFCD03094333
    • 4-(Trifluoromethoxy) phenylacetylene
    • AKOS016005970
    • A18261
    • 4-ethynylphenyl trifluoromethyl ether
    • DTXSID60380976
    • 160542-02-9
    • AB92252
    • 4-(Trifluoromethoxy)phenylacetylene, 97%
    • MDL: MFCD03094333
    • Inchi: 1S/C9H5F3O/c1-2-7-3-5-8(6-4-7)13-9(10,11)12/h1,3-6H
    • InChI Key: RWWGGRCLMVYXPM-UHFFFAOYSA-N
    • SMILES: FC(OC1C=CC(C#C)=CC=1)(F)F

Computed Properties

  • Exact Mass: 186.02900
  • Monoisotopic Mass: 186.029
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 205
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 9.2A^2
  • XLogP3: 3.3

Experimental Properties

  • Density: 1.215?g/mL?at 25?°C
  • Boiling Point: 158.1°C at 760 mmHg
  • Flash Point: Fahrenheit: 104 ° f
    Celsius: 40 ° c
  • Refractive Index: n20/D 1.4554
  • PSA: 9.23000
  • LogP: 2.56650

1-Ethynyl-4-(trifluoromethoxy)benzene Security Information

  • Symbol: GHS02 GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H226-H302-H317-H319
  • Warning Statement: P280-P305+P351+P338
  • Hazardous Material transportation number:UN 1993 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 22-36-43-51/53
  • Safety Instruction: S26
  • Hazardous Material Identification: Xi N Xn
  • HazardClass:3
  • PackingGroup:III
  • Storage Condition:Inert atmosphere,2-8°C(BD158727)
  • Risk Phrases:R22
  • Safety Term:S26-36/37-61

1-Ethynyl-4-(trifluoromethoxy)benzene Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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1-Ethynyl-4-(trifluoromethoxy)benzene Production Method

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