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. 97-09-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 97-09-6
Chemical Structure| 97-09-6
Structure of 97-09-6 * 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 [ 97-09-6 ]

Related Doc. of [ 97-09-6 ]

Alternatived Products of [ 97-09-6 ]
Product Citations

Product Details of [ 97-09-6 ]

CAS No. :97-09-6 MDL No. :MFCD00035783
Formula : C6H5ClN2O4S Boiling Point : No data available
Linear Structure Formula :- InChI Key :SPZGXONNVLTQDE-UHFFFAOYSA-N
M.W : 236.63 Pubchem ID :7324
Synonyms :

Calculated chemistry of [ 97-09-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 51.27
TPSA : 114.36 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.77
Log Po/w (XLOGP3) : 0.66
Log Po/w (WLOGP) : 1.98
Log Po/w (MLOGP) : -0.12
Log Po/w (SILICOS-IT) : -1.41
Consensus Log Po/w : 0.37

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.91
Solubility : 2.92 mg/ml ; 0.0124 mol/l
Class : Very soluble
Log S (Ali) : -2.64
Solubility : 0.545 mg/ml ; 0.0023 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.97
Solubility : 2.55 mg/ml ; 0.0108 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.29

Safety of [ 97-09-6 ]

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

Application In Synthesis of [ 97-09-6 ]

* 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 [ 97-09-6 ]

[ 97-09-6 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 97-08-5 ]
  • [ 97-09-6 ]
YieldReaction ConditionsOperation in experiment
93.7% Add 200g of water to a clean three-necked bottle, 2-nitrochlorobenzene-4-sulfonyl chloride wet product 80g(mass fraction 61.2%), converted into 2-nitrochlorobenzene-4-sulfonyl chloride 49g,And 1g of Turkish red oil as a wetting agent,Stirring and stirring for 30 minutes, then adding 40 g of solid ammonium chloride and stirring for 15 minutes.Adding a 20% aqueous solution of sodium hydroxide,Adjusting the pH of the system raises the pH of the feed to 7-9, thenWarming up to 30-55 C to maintain the ammoniation reaction,During the reaction, the sodium hydroxide aqueous solution with a mass fraction of 20% is used to maintain the pH of the ammoniated solution of the system between 7-9.Until the end of the ammoniation reaction is complete, cooling causes the product to precipitate completely and filter.The filter cake is washed twice with cold water, and the wet product is dried at 95 C.Obtained 42 g of 2-nitrochlorobenzene-4-sulfonamide as an ammoniated product, the yield was 93.7%.The purity is over 99%.
80.7% With ammonia; In 1,4-dioxane; at 20℃; for 1h; To a solution of (7.5 g, 29.3 mmol) of 4-chloro-3-nitrobenzenesulfonyl chloride in dioxane 150 ml was bubbled NH3 s for one hour. The reaction was stirred until completion, then filtered, rinsed with dioxane and concentrated. The resulting solid was suspended in distilled water, filtered and dried. Yield 5.6 g, 23.7 mmol (80.7%). IH NMR (400 MHz3 DMSO-D6) delta ppm 7.75 (s, 2 H) 8.01 (d, J=8.40 Hz, 1 H) 8.07 (dd, J=8.40, 2.15 Hz, 1 H) 8.45 (d, J=2.15 Hz, 1 H).
66% With ammonium hydroxide; In water; isopropyl alcohol; at -40 - -20℃; for 0.5h; 1L three bottles were added 350mL water,250 mL isopropanol,47 g of aqueous ammonia (0. 69 mol, 3 eq), cooled with stirring to -40 C, and a solution of 58 g (0.23 mol, 1eq) dissolved in 100 ml of 3-nitro-4-chlorobenzenesulfonyl chloride was added dropwise, keeping the temperature <-20 C. After the dropping insulation 0. 5h, TLC detection (PE/EA-5/1) no raw materials, add hydrochloric acid to adjust the pH = 1-2, keep the temperature <-20 C, adjust the temperature after recovery, remove isopropyl alcohol, filter, and dry cake washed with EA dissolved after filter and dry to gave 3-nitro-4-chlorobenzenesulfonamide, pale yellow crystals 36g, yield 66%
With ammonium hydroxide; In diethyl ether; at 20℃; for 4h; 4-Chloro-3-nitrobenzenesulfonylchloride (1081.7 mg, 4.14 mmol) dissolved in diethyl ether and ammonia solution (25%, 6 mL) was added to mixture and stirred at rt for 4h. Reaction mixture poured into water and extracted with ethyl acetate. Organic layer was dried, filtered and evaporated. The crude 1 (955.2 mg, 97.3% yield) was used in the next step without purification [1]. Mp 174.5-175.8 C, (175-176 C [2]). CAS # 97-09-6

  • 2
  • [ 97-08-5 ]
  • ammonium carbonate [ No CAS ]
  • [ 97-09-6 ]
  • 3
  • [ 121-18-6 ]
  • [ 97-09-6 ]
  • 4
  • [ 1336-21-6 ]
  • [ 97-08-5 ]
  • [ 97-09-6 ]
YieldReaction ConditionsOperation in experiment
In diethyl ether; EXAMPLE 1C 4'-chloro-3'-nitrobenzenesulfonamide A 0 C. solution of 4-chloro-3-nitrobenzenesulfonyl chloride (12.8 g, 50.0 mmol) in diethyl ether (1 L) was slowly treated with 0 C. concentrated NH4OH (50 mL) and stirred for 30 minutes. The organic layer was dried (MgSO4), filtered, and concentrated to provide the desired product of sufficient purity for subsequent use.
  • 5
  • concentrated NH40H [ No CAS ]
  • [ 97-08-5 ]
  • [ 97-09-6 ]
YieldReaction ConditionsOperation in experiment
In diethyl ether; Example 1C 4-chloro-3-nitrobenzenesulfonamide A 0 C. solution of 4-chloro-3-nitrobenzenesulfonyl chloride (12.8 g, 50.0 mmol) in diethyl ether (1 L) was slowly treated with 0 C. concentrated NH40H (50 mL) and stirred for 30 minutes. The organic layer was dried (MgSO4), filtered, and concentrated to provide the desired product of sufficient purity for subsequent use.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;