Cas no 94651-33-9 (2-(Trifluoromethoxy)benzaldehyde)

2-(Trifluoromethoxy)benzaldehyde structure
94651-33-9 structure
Product Name:2-(Trifluoromethoxy)benzaldehyde
CAS No:94651-33-9
MF:C8H5F3O2
MW:190.119313001633
MDL:MFCD00042405
CID:61740
PubChem ID:2777192
Update Time:2024-10-25

2-(Trifluoromethoxy)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-(TRIFLUOROMETHOXY)BENZALDEHYDE
    • o-(Trifluoromethoxy)benzaldehyde
    • 4-Trifluoromethoxy
    • 2-trifluoromethoxybenzaldehyde
    • 2-trifluoromethoxy-benzaldehyde
    • PubChem1469
    • 2-(TRIFLUOROMETHOXY)-BENZALDEHYDE
    • trifluoromethoxybenzaldehyde
    • o-trifluoromethoxybenzaldehyde
    • (trifluoromethoxy)benzaldehyde
    • KSC457M1D
    • 2-trifluoromethoxy benzaldehyde
    • 2-(trifluoromethoxy) benzaldehyde
    • Benzaldehyde, (trifluoromethoxy)-
    • CPHXLF
    • 2-(Trifluoromethoxy)benzaldehyde (ACI)
    • STK801541
    • CS-W015915
    • Z166606586
    • MFCD00042405
    • F2191-0159
    • T2302
    • EN300-23837
    • 2-[(trifluoromethyl)oxy]benzaldehyde
    • DB-019547
    • SCHEMBL96815
    • 94651-33-9
    • PS-8385
    • AKOS001284212
    • DTXSID60915383
    • CHEMBL4536848
    • 2-(Trifluoromethoxy)benzaldehyde, 96%
    • AC-3863
    • 2-(Trifluoromethoxy)benzaldehyde
    • MDL: MFCD00042405
    • Inchi: 1S/C8H5F3O2/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-5H
    • InChI Key: CPHXLFKIUVVIOQ-UHFFFAOYSA-N
    • SMILES: O=CC1C(OC(F)(F)F)=CC=CC=1
    • BRN: 6137162

Computed Properties

  • Exact Mass: 190.02400
  • Monoisotopic Mass: 190.024
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 179
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.9
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: liquid
  • Density: 1.332?g/mL?at 25?°C(lit.)
  • Boiling Point: 76°C/20mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:152.6°F
    Degrees Celsius:67°C
  • Refractive Index: n20/D 1.454(lit.)
  • PSA: 26.30000
  • LogP: 2.39770
  • Sensitiveness: Air Sensitive
  • Solubility: Not determined

2-(Trifluoromethoxy)benzaldehyde Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:NA 1993 / PGIII
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT, AIR SENSITIVE
  • Risk Phrases:R36/37/38

2-(Trifluoromethoxy)benzaldehyde Customs Data

  • HS CODE:2913000090
  • Customs Data:

    China Customs Code:

    2913000090

    Overview:

    2913000090 Item2912Other derivatives of the listed products [refer to halogenation,sulfonation,Nitrosative or nitrosative 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:

    HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

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2-(Trifluoromethoxy)benzaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Aluminum chloride Solvents: Benzene ;  cooled; rt; overnight, rt
Reference
Preparation of [(Fluoroalkoxy)benzylamino]piperidine derivatives as substance P receptor antagonists
, United States, , ,

Production Method 2

Reaction Conditions
Reference
Preparation of pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (IGF-1)
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Catalysts: Ruthenium(2+), tris(4,4′-dimethyl-2,2′-bipyridine-κN1,κN1′)-, (OC-6-11)-, hexafl… Solvents: Acetonitrile ;  cooled; 16 h, rt
Reference
Radical C-H Trifluoromethoxylation of (Hetero)arenes with Bis(trifluoromethyl)peroxide
Dix, Stefan; Golz, Paul; Schmid, Jonas R. ; Riedel, Sebastian ; Hopkinson, Matthew N., Chemistry - A European Journal, 2021, 27(45), 11554-11558

Production Method 4

Reaction Conditions
1.1 Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ;  1 h, rt
Reference
Photocatalytic trifluoromethoxylation of arenes and heteroarenes in continuous-flow
Nyuchev, Alexander V. ; Wan, Ting ; Cendon, Borja; Sambiagio, Carlo ; Struijs, Job J. C. ; et al, Beilstein Journal of Organic Chemistry, 2020, 16, 1305-1312

Production Method 5

Reaction Conditions
1.1 Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ;  1 h, rt
Reference
Radical Trifluoromethoxylation of Arenes Triggered by a Visible-Light-Mediated N-O Bond Redox Fragmentation
Jelier, Benson J. ; Tripet, Pascal F. ; Pietrasiak, Ewa; Franzoni, Ivan ; Jeschke, Gunnar ; et al, Angewandte Chemie, 2018, 57(42), 13784-13789

Production Method 6

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Tris(2,2′-bipyridine)ruthenium(2+) bis(hexafluorophosphate) Solvents: Acetonitrile ;  16 h, rt
Reference
Photocatalytic preparation of perfluoroalkoxy-substituted arenes and heteroarenes
, World Intellectual Property Organization, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: N,N,N′,N′-Tetramethylethylenediamine Solvents: Tetrahydrofuran
1.2 Reagents: sec-Butyllithium Solvents: Cyclohexane
1.3 -
Reference
2-, 3-, and 4-(trifluoromethoxy)phenyllithiums: versatile intermediates offering access to a variety of new organofluorine compounds
Castagnetti, Eva; Schlosser, Manfred, European Journal of Organic Chemistry, 2001, (4), 691-695

Production Method 8

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetonitrile ;  reflux
Reference
Preparation of secondary amine compounds as tRNA synthetase inhibitors useful in killing Gram-negative bacteria
, World Intellectual Property Organization, , ,

Production Method 9

Reaction Conditions
Reference
Simultaneous Chirality Sensing of Multiple Amines by 19F NMR
Zhao, Yanchuan; Swager, Timothy M., Journal of the American Chemical Society, 2015, 137(9), 3221-3224

Production Method 10

Reaction Conditions
Reference
Intramolecular hydroxycarbene C-H-insertion: the curious case of (o-methoxyphenyl)hydroxycarbene
Gerbig, Dennis; Ley, David; Reisenauer, Hans Peter; Schreiner, Peter R., Beilstein Journal of Organic Chemistry, 2010, 6, 1061-1069

Production Method 11

Reaction Conditions
Reference
Preparation of 3-[(fluoroalkoxy)benzylamino]piperidines and analogs as substance P antagonists
, World Intellectual Property Organization, , ,

Production Method 12

Reaction Conditions
Reference
Aromatic aldehydes
, Federal Republic of Germany, , ,

Production Method 13

Reaction Conditions
1.1 Reagents: Aluminum chloride Solvents: Benzene ;  -78 °C; -78 °C → rt; overnight, rt
1.2 Reagents: Water
Reference
Preparation of fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles as substance P receptor antagonists
, United States, , ,

2-(Trifluoromethoxy)benzaldehyde Raw materials

2-(Trifluoromethoxy)benzaldehyde Preparation Products

2-(Trifluoromethoxy)benzaldehyde Suppliers

Amadis Chemical Company Limited
Gold Member
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(CAS:94651-33-9)2-(Trifluoromethoxy)benzaldehyde
Order Number:A11093
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 20:53
Price ($):675.0
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
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(CAS:94651-33-9)2-(三氟甲氧基)苯甲醛
Order Number:LE2890276
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:42
Price ($):discuss personally
Recommended suppliers
Amadis Chemical Company Limited
(CAS:94651-33-9)2-(Trifluoromethoxy)benzaldehyde
A11093
Purity:99%
Quantity:500g
Price ($):675.0
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:94651-33-9)2-(三氟甲氧基)苯甲醛
LE2890276
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email