| Identification | More | [Name]
4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE | [CAS]
36823-88-8 | [Synonyms]
4-(TRIFLUOROMETHOXY)BENZENE-1-CARBONYL CHLORIDE
4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE
P-TRIFLUOROMETHOXYBENZOYL CHLORIDE
TIMTEC-BB SBB006550
4-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE, 98 %
4-(Trifluoromethoxy)benzoyl chloride 98% | [EINECS(EC#)]
627-673-9 | [Molecular Formula]
C8H4ClF3O2 | [MDL Number]
MFCD00052329 | [Molecular Weight]
224.56 | [MOL File]
36823-88-8.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to pink liquid | [Boiling point ]
55-56 °C2 mm Hg(lit.) | [density ]
1.425 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.472(lit.)
| [Fp ]
90 °F
| [storage temp. ]
Flammables area | [form ]
Liquid | [color ]
Clear colorless to pink | [Specific Gravity]
1.425 | [Sensitive ]
Moisture Sensitive | [BRN ]
2723543 | [InChI]
1S/C8H4ClF3O2/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H | [InChIKey]
ZXKKOFJYPRJFIE-UHFFFAOYSA-N | [SMILES]
FC(F)(F)Oc1ccc(cc1)C(Cl)=O | [CAS DataBase Reference]
36823-88-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R10:Flammable.
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2920 8/PG 2
| [WGK Germany ]
3
| [F ]
21 | [Hazard Note ]
Corrosive | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29189900 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 3
Skin Corr. 1B |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to pink liquid | [Uses]
4-(Trifluoromethoxy)benzoyl chloride (4-(Trifluoromethoxy)-1-benzenecarbonyl chloride, 4-(Chlorocarbonyl)-α,α,α-trifluoroanisole, 4-(Chloroformyl)-α,α,α-trifluoroanisole) is a clear, colorless liquid. It is an organic building block. Its density and refractive index values have been reported. | [General Description]
4-(Trifluoromethoxy)benzoyl chloride (4-(Trifluoromethoxy)-1-benzenecarbonyl chloride, 4-(Chlorocarbonyl)-α,α,α-trifluoroanisole, 4-(Chloroformyl)-α,α,α-trifluoroanisole) is a clear, colorless liquid. It is an organic building block. Its density and refractive index values have been reported. | [Synthesis]
A) General procedure for the synthesis of 4-(trifluoromethoxy)benzoyl chloride from 4-(trifluoromethoxy)benzoic acid: 4-(trifluoromethoxy)benzoic acid (25.0 g) was suspended in toluene (300 mL) at room temperature, followed by the addition of thionyl chloride (17.3 g). N,N-dimethylacetamide (1 mL) was added to the reaction mixture as a catalyst and the mixture was stirred at 60 °C for 2 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure to afford the target product 4-(trifluoromethoxy)benzoyl chloride (25.1 g). The product was characterized by 1H NMR (300 MHz, DMSO-d6) with chemical shifts of δ 7.39-7.52 (2H, m) and 8.01-8.11 (2H, m). | [References]
[1] Journal of Medicinal Chemistry, 1971, vol. 14, p. 921 - 925
[2] Journal of Medicinal Chemistry, 1991, vol. 34, # 5, p. 1630 - 1633
[3] Journal of Medicinal Chemistry, 2002, vol. 45, # 14, p. 3112 - 3129
[4] Patent: WO2006/84176, 2006, A2. Location in patent: Page/Page column 31-32
[5] Patent: US4665074, 1987, A |
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