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Cas Database |
| Name |
Benzaldehyde,2,3,4,5,6-pentafluoro- |
EINECS | 211-502-6 |
| CAS No. | 653-37-2 | Density | 1.605 g/cm3 |
| PSA | 17.07000 | LogP | 2.19460 |
| Solubility | Sparingly Soluble in water (0.027 g/L at 25°C). | Melting Point |
24-28 °C(lit.) |
| Formula | C7HF5O | Boiling Point | 166 °C at 760 mmHg |
| Molecular Weight | 196.076 | Flash Point | 77.8 °C |
| Transport Information | UN 2810 6.1/PG 3 | Appearance | Clear yellowish liquid after melting |
| Safety | 26-37/39 | Risk Codes | 20/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, F, Xi
|
| Synonyms |
Benzaldehyde,pentafluoro- (6CI,7CI,8CI,9CI);2,3,4,5,6-Pentafluorobenzaldehyde;Formylpentafluorobenzene;Pentafluorobenzaldehyde;Perfluorobenzaldehyde; |
Article Data | 34 |
Benzaldehyde,2,3,4,5,6-pentafluoro- Synthetic route
| Conditions | Yield |
|---|---|
| In diethyl ether reaction under reflux, 4 hours;; | 62.4% |
| In diethyl ether reaction under reflux, 4 hours;; | 62.4% |
| Conditions | Yield |
|---|---|
| With formic acid; nickel-aluminum alloy In water at 65℃; for 1h; Inert atmosphere; Large scale; Green chemistry; | 61.5% |
| With hydrogenchloride; tin(ll) chloride |
| Conditions | Yield |
|---|---|
| In diethyl ether reaction at -78°C, 2 hours;; | 61% |
| In diethyl ether reaction at -78°C, 2 hours;; | 61% |
- 344-07-0
1-chloro-2,3,4,5,6-pentafluorobenzene
- 7440-66-6
zinc
A
- 1094167-88-0
N,N-dimethyl-1,1-bis(perfluorophenyl)methanamine
B
- 653-37-2
perfluorobenzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 1-chloro-2,3,4,5,6-pentafluorobenzene; zinc In N,N-dimethyl-formamide Stage #2: With copper(l) iodide; Vilsmeier reagent In N,N-dimethyl-formamide at -10℃; for 4.5h; Enzymatic reaction; Stage #3: With water In N,N-dimethyl-formamide | A 9.5 %Spectr. B 57% |
| Conditions | Yield |
|---|---|
| With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene In dichloromethane at 35℃; for 0.075h; Flow reactor; chemoselective reaction; | 51% |
| With tetrabutylammonium perchlorate; bromide In dichloromethane Ambient temperature; indirect electrooxidation; | 67 % Chromat. |
| With oxygen In toluene at 100℃; for 0.283333h; Green chemistry; |
| Conditions | Yield |
|---|---|
| Stage #1: bromopentafluorobenzene With magnesium In diethyl ether Stage #2: formic acid ethyl ester | 38% |
| With n-butyllithium |
- 97580-75-1
bis(α-pentafluoroanilino-2,3,4,5,6-pentafluorobenzyl)peroxide
A
- 771-60-8
2,3,4,5,6-pentafluoroaniline
B
- 653-37-2
perfluorobenzaldehyde
C
- 853-75-8
N-pentafluorophenyl-pentafluorophenylaldimine
D
- 19364-92-2
2,3,4,5,6-pentafluoro-N-(pentafluorophenyl)benzamide
| Conditions | Yield |
|---|---|
| In hexane at 20℃; for 6h; Product distribution; Irradiation; | A 23% B 27% C 32% D 7% |
- 2341-86-8
N-((perfluorophenyl)methylene)aniline
A
- 653-37-2
perfluorobenzaldehyde
B
- 58627-19-3
2,3,4,5,6-pentafluoro-N-phenylbenzamide
| Conditions | Yield |
|---|---|
| With trifluoroacetyl peroxide In dichloromethane at 20℃; for 1h; Title compound not separated from byproducts; |
- 1765-40-8
(bromomethyl)pentafluorobenzene
A
- 653-37-2
perfluorobenzaldehyde
B
- 440-60-8
(2,3,4,5,6-pentafluorophenyl)methanol
| Conditions | Yield |
|---|---|
| With N,N,N',N'-tetramethyl-para-phenylenediamine; oxygen In acetonitrile for 15h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
| Conditions | Yield |
|---|---|
| (i) Mg, (ii) /BRN= 636496/; Multistep reaction; |
Benzaldehyde,2,3,4,5,6-pentafluoro- Specification
The CAS register number of Benzaldehyde,2,3,4,5,6-pentafluoro- is 653-37-2. It also can be called as 2,3,4,5,6-Pentafluorobenzaldehyde and the systematic name about this chemical is pentafluorobenzaldehyde. The molecular formula about this chemical is C7HF5O and the molecular weight is 196.07. It belongs to the following product categories which include Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Aldehydes; C7; Carbonyl Compounds and so on.
Physical properties about Benzaldehyde,2,3,4,5,6-pentafluoro- are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 29.29; (5)ACD/BCF (pH 7.4): 29.29; (6)ACD/KOC (pH 5.5): 390.37; (7)ACD/KOC (pH 7.4): 390.37; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.452; (12)Molar Refractivity: 32.97 cm3; (13)Molar Volume: 122.1 cm3; (14)Polarizability: 13.07x10-24cm3; (15)Surface Tension: 30.8 dyne/cm; (16)Density: 1.605 g/cm3; (17)Flash Point: 77.8 °C; (18)Enthalpy of Vaporization: 40.25 kJ/mol; (19)Boiling Point: 166 °C at 760 mmHg; (20)Vapour Pressure: 1.82 mmHg at 25 °C.
Uses of Benzaldehyde,2,3,4,5,6-pentafluoro-: it can be used to produce 1-(4'-formyltetrafluorophenyl)imidazole with 1H-imidazole. This reaction will need reagent of tetrahydrofuran. The reaction time is 20 hours with reaction temperature of 13 - 16 °C. The yield is about 83.5%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation and if swallowed. It is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C=O)c(F)c(F)c(F)c1F
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