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. 1645-96-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 1645-96-1
Chemical Structure| 1645-96-1
Structure of 1645-96-1 * 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 [ 1645-96-1 ]

Related Doc. of [ 1645-96-1 ]

Alternatived Products of [ 1645-96-1 ]
Product Citations

Product Details of [ 1645-96-1 ]

CAS No. :1645-96-1 MDL No. :MFCD02250294
Formula : C7H3F2NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :YCLXTFDBDIYVPZ-UHFFFAOYSA-N
M.W : 203.10 Pubchem ID :21236553
Synonyms :

Calculated chemistry of [ 1645-96-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 41.47
TPSA : 64.28 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.88 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.68
Log Po/w (XLOGP3) : 2.33
Log Po/w (WLOGP) : 2.76
Log Po/w (MLOGP) : 1.21
Log Po/w (SILICOS-IT) : 0.14
Consensus Log Po/w : 1.62

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.82
Solubility : 0.309 mg/ml ; 0.00152 mol/l
Class : Soluble
Log S (Ali) : -3.32
Solubility : 0.0975 mg/ml ; 0.00048 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.08
Solubility : 1.67 mg/ml ; 0.00824 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.53

Safety of [ 1645-96-1 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P302+P352 UN#:2810
Hazard Statements:H302+H312-H331 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 1645-96-1 ]

* 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 [ 1645-96-1 ]

[ 1645-96-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1583-59-1 ]
  • [ 1645-96-1 ]
YieldReaction ConditionsOperation in experiment
33.99% With sulfuric acid; nitric acid; In dichloromethane; at 0℃; for 0.5h; In a 1000 ml three-necked flask, add 300 ml of dichloromethane, 15.8 g (0.1 mol) of 2,2-difluorobenzo[d][1,3]dioxane, represented by the formula M-01, and cool to 0 C. ,Slowly add a mixture of 9.69 g (0.1 mol) of 65% nitric acid and 20.6 g of 98% sulfuric acid, add the reaction at 0 C for 30 minutes, add water. The organic layer was washed with water until neutral, separated by silica gel column chromatography, eluting with petroleum ether: ethyl acetate = 10:1 (volume ratio). 6.9 g of 2,2-difluoro-5-nitrobenzo[d][1,3]dioxane was obtained according to the formula M-02, and the yield was 33.99%.
33.99% With sulfuric acid; nitric acid; In dichloromethane; at 0℃; for 0.5h; In a 1000 ml three-necked flask, add 300 ml of dichloromethane, 15.8 g (0.1 mol) of <strong>[1583-59-1]2,2-difluorobenzo[d][1,3]dioxolane</strong>, represented by the formula M-01, and cool to 0 C. ,A mixture of 9.69 g (0.1 mol) of 65% nitric acid and 20.6 g of 98% sulfuric acid was slowly added dropwise, and the reaction was kept at 0 C for 30 minutes.Add water solution, wash the organic layer to neutral, separate by silica gel column chromatography, elute with petroleum ether: ethyl acetate = 10:1 (volume ratio).6.9 g of 2,2-difluoro-5-nitrobenzo[d][1,3]dioxolane was obtained according to the formula M-02, and the yield was 33.99%.
33.99% With sulfuric acid; nitric acid; In dichloromethane; at 0℃; for 0.5h; 1000 ml three-necked bottle, Add 300 ml of dichloromethane, 15.8 g (0.1 mol) of <strong>[1583-59-1]2,2-difluorobenzo[d][1,3]dioxole</strong>, as shown by formula M-01, Cool down to 0 C, A mixture of 9.69 g (0.1 mol) of 65% nitric acid and 20.6 g of 98% sulfuric acid was slowly added dropwise. The reaction was incubated at 0 C for 30 minutes. Add water, The organic layer is washed to neutral, Separated by silica gel column chromatography, Petroleum ether: ethyl acetate = 10:1 (volume ratio) elution, as shown by formula M-02 2,2-difluoro-5-nitrobenzo[d][1,3]dioxole 6.9 g, yield 33.99%.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 1645-96-1 ]

Fluorinated Building Blocks

Chemical Structure| 2995-45-1

[ 2995-45-1 ]

1-Nitro-3-(trifluoromethoxy)benzene

Similarity: 0.82

Chemical Structure| 713-65-5

[ 713-65-5 ]

1-Nitro-4-(trifluoromethoxy)benzene

Similarity: 0.82

Chemical Structure| 2267-23-4

[ 2267-23-4 ]

2-Nitro-4-(trifluoromethoxy)aniline

Similarity: 0.80

Chemical Structure| 1261753-88-1

[ 1261753-88-1 ]

4-Nitro-2-(trifluoromethoxy)aniline

Similarity: 0.78

Chemical Structure| 1644-88-8

[ 1644-88-8 ]

1-Nitro-2-(trifluoromethoxy)benzene

Similarity: 0.76

Nitroes

Chemical Structure| 2995-45-1

[ 2995-45-1 ]

1-Nitro-3-(trifluoromethoxy)benzene

Similarity: 0.82

Chemical Structure| 713-65-5

[ 713-65-5 ]

1-Nitro-4-(trifluoromethoxy)benzene

Similarity: 0.82

Chemical Structure| 2267-23-4

[ 2267-23-4 ]

2-Nitro-4-(trifluoromethoxy)aniline

Similarity: 0.80

Chemical Structure| 1261753-88-1

[ 1261753-88-1 ]

4-Nitro-2-(trifluoromethoxy)aniline

Similarity: 0.78

Chemical Structure| 1644-88-8

[ 1644-88-8 ]

1-Nitro-2-(trifluoromethoxy)benzene

Similarity: 0.76

Related Parent Nucleus of
[ 1645-96-1 ]

Other Aromatic Heterocycles

Chemical Structure| 32996-27-3

[ 32996-27-3 ]

5-Methyl-6-nitrobenzo[d][1,3]dioxole

Similarity: 0.76

Chemical Structure| 159873-64-0

[ 159873-64-0 ]

1-(6-Nitrobenzo[d][1,3]dioxol-5-yl)ethanol

Similarity: 0.71

Chemical Structure| 887267-84-7

[ 887267-84-7 ]

6-Bromo-2,2-difluorobenzo[d][1,3]dioxol-5-amine

Similarity: 0.71

Chemical Structure| 1544-85-0

[ 1544-85-0 ]

2,2-Difluorobenzo[d][1,3]dioxol-5-amine

Similarity: 0.70

Chemical Structure| 106876-54-4

[ 106876-54-4 ]

4-Amino-2,2-difluoro-1,3-benzodioxole

Similarity: 0.68

; ;