Cas no 54773-20-5 (3,5-Dichlorobenzotrifluoride)

3,5-Dichlorobenzotrifluoride is a halogenated aromatic compound with the molecular formula C7H3Cl2F3. It features a benzene ring substituted with two chlorine atoms at the 3 and 5 positions and a trifluoromethyl group, enhancing its stability and reactivity in synthetic applications. This compound is commonly used as an intermediate in pharmaceuticals, agrochemicals, and specialty chemicals due to its electron-withdrawing properties, which facilitate nucleophilic substitution reactions. Its high purity and consistent performance make it suitable for precision synthesis. The trifluoromethyl group contributes to increased lipophilicity, improving bioavailability in active ingredients. Proper handling is required due to its potential toxicity and reactivity.
3,5-Dichlorobenzotrifluoride structure
3,5-Dichlorobenzotrifluoride structure
Product Name:3,5-Dichlorobenzotrifluoride
CAS No:54773-20-5
MF:C7H3Cl2F3
MW:214.999930620193
MDL:MFCD00203929
CID:89826
PubChem ID:35361
Update Time:2025-06-08

3,5-Dichlorobenzotrifluoride Chemical and Physical Properties

Names and Identifiers

    • 1,3-dichloro-5-(trifluoromethyl)benzene
    • 3,5 – DICHLOROBENZOTRIFLUORIDE
    • 3,5-Dichlorobenzotrifluoride
    • C7H3Cl2F3
    • Benzene, 1,3-dichloro-5-(trifluoromethyl)-
    • 1,5-dichloro-3-(trifluoromethyl)benzene
    • PubChem19726
    • KSC949C6R
    • PCMPDUPKYRRIIP-UHFFFAOYSA-N
    • WT388
    • SBB016983
    • VZ25734
    • AS02965
    • 1-(Trifluoromethyl)-3,5-dichlorobenzene
    • ZB008494
    • 3,5-DICHLOROBENZOTRI
    • FT-0676372
    • AS-19455
    • CS-0067851
    • EINECS 259-337-9
    • MFCD00203929
    • 3,5-DICHLOROBENZOTRIFLUORIDE, 98
    • SY062565
    • NS00059278
    • 54773-20-5
    • DTXSID00203236
    • SCHEMBL321756
    • AKOS015890255
    • 3,5-Dichlorobenzotrifluoride,98
    • A830364
    • DA-04980
    • DTXCID00125727
    • 259-337-9
    • MDL： MFCD00203929
    • Inchi： 1S/C7H3Cl2F3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
    • InChI Key： PCMPDUPKYRRIIP-UHFFFAOYSA-N
    • SMILES： ClC1C=C(C=C(C(F)(F)F)C=1)Cl

Computed Properties

  • Exact Mass: 213.95600
  • Monoisotopic Mass: 213.95639
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 147
  • 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: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.1

Experimental Properties

  • Color/Form: Pale yellow liquid
  • Density: 1.47
  • Melting Point: -13 °C
  • Boiling Point: 163.2°C at 760 mmHg
  • Flash Point: 65℃
  • Refractive Index: 1,471-1,473
  • PSA: 0.00000
  • LogP: 4.01220
  • Solubility: Not available
  • Vapor Pressure: No data available

3,5-Dichlorobenzotrifluoride Security Information

  • Signal Word：Danger
  • Hazard Statement： H226-H314-H318
  • Warning Statement： P201-P261-P280-P310-P305+P351+P338
  • Hazardous Material transportation number：1760
  • Hazard Category Code： 36/37/38-34
  • Safety Instruction： S26; S36
  • Hazardous Material Identification： Xi
  • HazardClass：8
  • PackingGroup：Ⅲ
  • Storage Condition：Sealed in dry,Room Temperature(BD82547)
  • Risk Phrases：R36/37/38

3,5-Dichlorobenzotrifluoride Customs Data

  • HS CODE：2903999090
  • Customs Data：

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3,5-Dichlorobenzotrifluoride Pricemore >>

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abcr
AB130492-5 g
3,5-Dichlorobenzotrifluoride, 98%; .
 54773-20-5 98%
5 g
 €154.70 2023-07-20
abcr
AB130492-25 g
3,5-Dichlorobenzotrifluoride, 98%; .
 54773-20-5 98%
25 g
 €361.00 2023-07-20
abcr
AB130492-100 g
3,5-Dichlorobenzotrifluoride, 98%; .
 54773-20-5 98%
100 g
 €945.30 2023-07-20

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