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. 4863-91-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 4863-91-6
Chemical Structure| 4863-91-6
Structure of 4863-91-6 * 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 [ 4863-91-6 ]

Related Doc. of [ 4863-91-6 ]

Alternatived Products of [ 4863-91-6 ]
Product Citations

Product Details of [ 4863-91-6 ]

CAS No. :4863-91-6 MDL No. :MFCD03407962
Formula : C6H5ClFN Boiling Point : -
Linear Structure Formula :- InChI Key :LPIFAHAICWJMRR-UHFFFAOYSA-N
M.W : 145.56 Pubchem ID :2734838
Synonyms :

Calculated chemistry of [ 4863-91-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 35.81
TPSA : 26.02 ?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) : -5.51 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.59
Log Po/w (XLOGP3) : 2.37
Log Po/w (WLOGP) : 2.49
Log Po/w (MLOGP) : 2.51
Log Po/w (SILICOS-IT) : 2.21
Consensus Log Po/w : 2.23

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.73
Solubility : 0.272 mg/ml ; 0.00187 mol/l
Class : Soluble
Log S (Ali) : -2.56
Solubility : 0.404 mg/ml ; 0.00277 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.91
Solubility : 0.179 mg/ml ; 0.00123 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.43

Safety of [ 4863-91-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P501-P261-P270-P210-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312-P403+P235 UN#:N/A
Hazard Statements:H302+H312+H332-H315-H319-H227 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 4863-91-6 ]

* 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.

  • Upstream synthesis route of [ 4863-91-6 ]
  • Downstream synthetic route of [ 4863-91-6 ]

[ 4863-91-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 4863-91-6 ]
  • [ 4815-64-9 ]
YieldReaction ConditionsOperation in experiment
18% With sodium peroxoborate tetrahydrate In acetic acid at 55℃; for 2 h; (a) 1 -Chloro-3-fluoro-5-nitro-benzeneSodium perborate tetrahydrate (7.69g, 50.0 mmol) was suspended in 30 mL of acetic acid, and this suspension was warmed to 55 °C. 3-Chloro-5-fluoroaniline (1.46g, 10 mmol) was dissolved in 20 mL of acetic acid and added within one hour. The reaction was stirred for 1 hour at 55 °C and then cooled to room temperature. 300 mL of TBME was added, and the reaction mixture was filtered. The organic layer was washed with brine, followed by 20 mL of aqueous Na2S203, followed by brine. The organic layer was dried over Na2S04 and concentrated under reduced pressure to give a residue, which was purified by column chromatography (40 g Si02; cyclohexane) to yield the title compound as a solid (320 mg, 18percent). H-NMR (400 MHz; DMSO-d6):8.20 (s, 1 H), 8.18 (d, 1 H), 8.07 (d, 1 H).
Reference： [1] Patent: WO2013/61305, 2013, A1, . Location in patent: Page/Page column 46
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 4863-91-6 ]

Fluorinated Building Blocks

Chemical Structure| 367-22-6

[ 367-22-6 ]

4-Chloro-3-fluoroaniline

Similarity: 0.91

Chemical Structure| 2106-05-0

[ 2106-05-0 ]

5-Chloro-2-fluoroaniline

Similarity: 0.91

Chemical Structure| 153505-33-0

[ 153505-33-0 ]

3-Chloro-5-fluorobenzene-1,2-diamine

Similarity: 0.90

Chemical Structure| 2106-02-7

[ 2106-02-7 ]

2-Chloro-4-fluoroaniline

Similarity: 0.89

Chemical Structure| 367-21-5

[ 367-21-5 ]

3-Chloro-4-fluoroaniline

Similarity: 0.89

Aryls

Chemical Structure| 367-22-6

[ 367-22-6 ]

4-Chloro-3-fluoroaniline

Similarity: 0.91

Chemical Structure| 2106-05-0

[ 2106-05-0 ]

5-Chloro-2-fluoroaniline

Similarity: 0.91

Chemical Structure| 153505-33-0

[ 153505-33-0 ]

3-Chloro-5-fluorobenzene-1,2-diamine

Similarity: 0.90

Chemical Structure| 2106-02-7

[ 2106-02-7 ]

2-Chloro-4-fluoroaniline

Similarity: 0.89

Chemical Structure| 367-21-5

[ 367-21-5 ]

3-Chloro-4-fluoroaniline

Similarity: 0.89

Chlorides

Chemical Structure| 367-22-6

[ 367-22-6 ]

4-Chloro-3-fluoroaniline

Similarity: 0.91

Chemical Structure| 2106-05-0

[ 2106-05-0 ]

5-Chloro-2-fluoroaniline

Similarity: 0.91

Chemical Structure| 153505-33-0

[ 153505-33-0 ]

3-Chloro-5-fluorobenzene-1,2-diamine

Similarity: 0.90

Chemical Structure| 2106-02-7

[ 2106-02-7 ]

2-Chloro-4-fluoroaniline

Similarity: 0.89

Chemical Structure| 367-21-5

[ 367-21-5 ]

3-Chloro-4-fluoroaniline

Similarity: 0.89

Amines

Chemical Structure| 367-22-6

[ 367-22-6 ]

4-Chloro-3-fluoroaniline

Similarity: 0.91

Chemical Structure| 2106-05-0

[ 2106-05-0 ]

5-Chloro-2-fluoroaniline

Similarity: 0.91

Chemical Structure| 153505-33-0

[ 153505-33-0 ]

3-Chloro-5-fluorobenzene-1,2-diamine

Similarity: 0.90

Chemical Structure| 2106-02-7

[ 2106-02-7 ]

2-Chloro-4-fluoroaniline

Similarity: 0.89

Chemical Structure| 367-21-5

[ 367-21-5 ]

3-Chloro-4-fluoroaniline

Similarity: 0.89

; ;