成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 19842-76-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 19842-76-3
Chemical Structure| 19842-76-3
Structure of 19842-76-3 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 19842-76-3 ]

Related Doc. of [ 19842-76-3 ]

Alternatived Products of [ 19842-76-3 ]
Product Citations

Product Details of [ 19842-76-3 ]

CAS No. :19842-76-3 MDL No. :MFCD00167387
Formula : C7H2F4O Boiling Point : -
Linear Structure Formula :- InChI Key :YIRYOMXPMOLQSO-UHFFFAOYSA-N
M.W : 178.08 Pubchem ID :601331
Synonyms :

Calculated chemistry of [ 19842-76-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 31.66
TPSA : 17.07 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.3
Log Po/w (XLOGP3) : 1.89
Log Po/w (WLOGP) : 3.74
Log Po/w (MLOGP) : 3.17
Log Po/w (SILICOS-IT) : 3.69
Consensus Log Po/w : 2.76

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.44
Solubility : 0.648 mg/ml ; 0.00364 mol/l
Class : Soluble
Log S (Ali) : -1.87
Solubility : 2.4 mg/ml ; 0.0135 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.46
Solubility : 0.0616 mg/ml ; 0.000346 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.2

Safety of [ 19842-76-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 19842-76-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 19842-76-3 ]

[ 19842-76-3 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 67-56-1 ]
  • [ 5216-17-1 ]
  • [ 19842-76-3 ]
YieldReaction ConditionsOperation in experiment
99.9% EXAMPLE 5 Preparation of 2,3,5,6-Tetrafluorobenzaldehyde The same operation as in Example 4 was performed except for changing the temperature at the stirring in a hydrogen atmosphere to 10 C. After the distillation, 101.43 g of 2,3,5,6-tetrafluorobenzaldehyde having a purity of 99.9% was obtained as the main fraction oil layer (yield based on 2,3,5,6-tetrafluorobenzonitrile: 78.4%).
99.9% EXAMPLE 10 Preparation of 2,3,5,6-Tetrafluorobenzaldehyde The same operation as in Example 9 was performed except for using 1.74 g of stannous sulfate and 12.39 g of sponge nickel having a water content of 6.96 g, and changing the time at the stirring in a hydrogen atmosphere to 7 hours. Before the distillation, the main products of the reaction solution were 2,3,5,6-tetrafluorobenzaldehyde and 2,3,5,6-tetrafluorobenzaldehyde dimethylacetal. After the distillation, 109.33 g of 2,3,5,6-tetrafluorobenzaldehyde having a purity of 99.9% was obtained as the main fraction oil layer (yield based on 2,3,5,6-tetrafluorobenzonitrile: 84.6 %).
99.9% EXAMPLE 11 Preparation of 2,3,5,6-Tetrafluorobenzaldehyde The same operation as in Example 9 was performed except for using 1.15 g of zinc sulfate and 8.26 g of sponge nickel having a water content of 6.31 g, and changing the time at the stirring in a hydrogen atmosphere to 7.5 hours. Before the distillation, the main products of the reaction solution were 2,3,5,6-tetrafluorobenzaldehyde and 2,3,5,6-tetrafluorobenzaldehyde dimethylacetal. After the distillation, 106.31 g of 2,3,5,6-tetrafluorobenzaldehyde having a purity of 99.9% was obtained as the main fraction oil layer (yield based on 2,3,5,6-tetrafluorobenzonitrile: 82.2 %).
99.9% EXAMPLE 6 Preparation of 2,3,5,6-Tetrafluorobenzaldehyde The same operation as in Example 4 was performed except for changing the temperature at the stirring in a hydrogen atmosphere to 30 C. After the distillation, 101.47 g of 2.3,5,6-tetrafluorobenzaldehyde having a purity of 99.9% was obtained as the main fraction oil layer (yield based on 2,3,5,6-tetrafluorobenzonitrile: 78.4%).
99.9% EXAMPLE 7 Preparation of 2,3,5,6-Tetrafluorobenzaldehyde The same operation as in Example 3 was performed except for using 9.33 g of sponge nickel having a water content of 6.83 g. Before the distillation, the main products of the reaction solution were 2,3,5,6-tetrafluorobenzaldehyde and 2,3,5,6-tetrafluorobenzaldehyde dimethylacetal. After the distillation, 104.29 g of 2,3,5,6-tetrafluorobenzaldehyde having a purity of 99.9% was obtained as the main fraction oil layer (yield based on 2,3,5,6-tetrafluorobenzonitrile: 80.6%).
99.9% EXAMPLE 9 Preparation of 2,3,5,6-Tetrafluorobenzaldehyde The same operation as in Example 3 was performed except for using a catalyst prepared by charging 12.39 g of sponge nickel and 14.36 g of a 10% cupric sulfate solution into a 500 ml-volume glass-made reactor equipped with a condenser tube and after stirring the solution for 30 minutes, removing the supernatant. Before the distillation, the main products of the reaction solution were 2,3,5,6-tetrafluorobenzaldehyde and 2,3,5,6-tetrafluorobenzaldehyde dimethylacetal. After the distillation, 110.7 g of 2,3,5,6-tetrafluorobenzaldehyde having a purity of 99.9% was obtained as the main fraction oil layer (yield based on 2,3,5,6-tetrafluorobenzonitrile: 85.6%).

  • 3
  • [ 5216-17-1 ]
  • [ 19842-76-3 ]
YieldReaction ConditionsOperation in experiment
100% With formic acid;aluminum nickel; In methanol; water; Example 17 (Reaction for Conversion from Cyano Group to Aldehyde Group) Using 83 g of methanol, 21 g of water, 45 g of formic acid, 1.5 g of Raney nickel, and 5.0 g of <strong>[5216-17-1]2,3,5,6-tetrafluorobenzonitrile</strong>, a reaction was carried out by a method similar to Example 15. When the reaction was carried out at 60 C. for 4 hours, the conversion of <strong>[5216-17-1]2,3,5,6-tetrafluorobenzonitrile</strong> was found to be 100% and the yield of 2,3,5,6-tetrafluorobenzaldehyde (based on <strong>[5216-17-1]2,3,5,6-tetrafluorobenzonitrile</strong>) was 84%.
100% With acetic acid;aluminum nickel; In methanol; water; Example 18 (Reaction for Conversion from Cyano Group to Aldehyde Group) Using 91 g of methanol, 12 g of water, 45 g of acetic acid, and 0.25 g of Raney nickel, a reaction was carried out by a method similar to Example 17. When the reaction was carried out at 60 C. for 2 hours, the conversion of <strong>[5216-17-1]2,3,5,6-tetrafluorobenzonitrile</strong> was found to be 100% and the yield of 2,3,5,6-tetrafluorobenzaldehyde (based on <strong>[5216-17-1]2,3,5,6-tetrafluorobenzonitrile</strong>) was 70%.
99.9% With sulfuric acid; In methanol; EXAMPLE 4 Preparation of 2,3,5,6-Tetrafluorobenzaldehyde Into a 2 L-volume glass-made reactor equipped with a condenser tube, 127.08 g of <strong>[5216-17-1]2,3,5,6-tetrafluorobenzonitrile</strong> and 468.48 g of methanol were charged. While stirring the mixture in a water bath, a mixed solution containing 228.48 g of methanol and 146.88 g of 97% sulfuric acid was added dropwise. Subsequently, 9.33 g of sponge nickel thoroughly replaced with methanol was added, the vapor phase moiety was thoroughly purged with hydrogen gas, and then the solution was stirred at 20 C. for 2 hours under atmospheric pressure in a hydrogen atmosphere. The resulting reaction solution was treated through the same operation as in Example 3. After the distillation, 101.59 g of 2,3,5,6-tetrafluorobenzaldehyde having a purity of 99.9% was obtained as the main fraction oil layer (yield based on <strong>[5216-17-1]2,3,5,6-tetrafluorobenzonitrile</strong>: 78.5%).
  • 4
  • [ 19842-76-3 ]
  • [ 5216-17-1 ]
YieldReaction ConditionsOperation in experiment
Furthermore, it was found that 4.50 g of 2,3,5,6-tetrafluorobenzaldehyde was dissolved in the aqueous layer (yield based on 2,3,5,6-tetrafluorobenzonitrile: 3.5%).
Furthermore, it was found that 4.20 g of 2,3,5,6-tetrafluorobenzaldehyde was dissolved in the aqueous layer (yield based on 2,3,5,6-tetrafluorobenzonitrile: 3.3%).
Furthermore, it was found that 4.80 g of 2,3,5,6-tetrafluorobenzaldehyde was dissolved in the aqueous layer (yield based on 2,3,5,6-tetrafluorobenzonitrile: 3.7%).
Furthermore, it was found that 4.54 g of 2,3,5,6-tetrafluorobenzaldehyde was dissolved in the aqueous layer (yield based on 2,3,5,6-tetrafluorobenzonitrile: 3.5%).
Furthermore, it was found that 4.50 g of 2,3,5,6-tetrafluorobenzaldehyde was dissolved in the aqueous layer (yield based on 2,3,5,6-tetrafluorobenzonitrile: 3.5%).
Furthermore, it was found that 4.40 g of 2,3,5,6-tetrafluorobenzaldehyde was dissolved in the aqueous layer (yield based on 2,3,5,6-tetrafluorobenzonitrile: 3.4%).
Furthermore, it was found that 4.50 g of 2,3,5,6-tetrafluorobenzaldehyde was dissolved in the aqueous layer (yield based on 2,3,5,6-tetrafluorobenzonitrile: 3.5%).

Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 19842-76-3 ]

Fluorinated Building Blocks

Chemical Structure| 653-37-2

[ 653-37-2 ]

2,3,4,5,6-Pentafluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 126202-23-1

[ 126202-23-1 ]

2,3,5-Trifluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 16583-06-5

[ 16583-06-5 ]

2,3,4,5-Tetrafluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 161793-17-5

[ 161793-17-5 ]

2,3,4-Trifluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 104451-70-9

[ 104451-70-9 ]

2,3,6-Trifluorobenzaldehyde

Similarity: 1.00

Aryls

Chemical Structure| 653-37-2

[ 653-37-2 ]

2,3,4,5,6-Pentafluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 126202-23-1

[ 126202-23-1 ]

2,3,5-Trifluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 16583-06-5

[ 16583-06-5 ]

2,3,4,5-Tetrafluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 161793-17-5

[ 161793-17-5 ]

2,3,4-Trifluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 104451-70-9

[ 104451-70-9 ]

2,3,6-Trifluorobenzaldehyde

Similarity: 1.00

Aldehydes

Chemical Structure| 165047-24-5

[ 165047-24-5 ]

2,4,5-Trifluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 126202-23-1

[ 126202-23-1 ]

2,3,5-Trifluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 16583-06-5

[ 16583-06-5 ]

2,3,4,5-Tetrafluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 161793-17-5

[ 161793-17-5 ]

2,3,4-Trifluorobenzaldehyde

Similarity: 1.00

Chemical Structure| 104451-70-9

[ 104451-70-9 ]

2,3,6-Trifluorobenzaldehyde

Similarity: 1.00

; ;