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Chemistry
Organic Building Blocks
Aryls
2,4-Dichloro-1-(2-nitrovinyl)benzene
Chemistry
Organic Building Blocks
Aryls
Chlorides Nitroes Alkenes Benzene Compounds

[ CAS No. 18984-21-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
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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)
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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+
3d Animation Molecule Structure of 18984-21-9
Chemical Structure| 18984-21-9
Chemical Structure| 18984-21-9
Structure of 18984-21-9 * Storage: {[proInfo.prStorage]}
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For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 18984-21-9 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 18984-21-9 ]

SDS Specification
Alternatived Products of [ 18984-21-9 ]

Product Details of [ 18984-21-9 ]

CAS No. :18984-21-9 MDL No. :MFCD00053063
Formula : C8H5Cl2NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :LIWIJBBAMBDXME-ONEGZZNKSA-N
M.W : 218.04 Pubchem ID :690125
Synonyms :

Calculated chemistry of [ 18984-21-9 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 54.66
TPSA : 45.82 Ų

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) : -5.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.95
Log Po/w (XLOGP3) : 3.26
Log Po/w (WLOGP) : 3.13
Log Po/w (MLOGP) : 3.14
Log Po/w (SILICOS-IT) : 1.44
Consensus Log Po/w : 2.58

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.46
Solubility : 0.0764 mg/ml ; 0.000351 mol/l
Class : Soluble
Log S (Ali) : -3.9
Solubility : 0.0277 mg/ml ; 0.000127 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.11
Solubility : 0.17 mg/ml ; 0.000782 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.64

Safety of [ 18984-21-9 ]

Signal Word:Danger Class:9
Precautionary Statements:P501-P273-P260-P270-P264-P280-P391-P314-P337+P313-P305+P351+P338-P301+P312+P330 UN#:3077
Hazard Statements:H302-H319-H372-H410 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 18984-21-9 ]

* 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 [ 18984-21-9 ]

[ 18984-21-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 848821-61-4 ]
  • [ 107-86-8 ]
  • [ 18984-21-9 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
82% In toluene at 30℃; for 20h; stereoselective reaction;
Reference： [1]Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudoerfl, Joerg M.; Jacobi Von Wangelin, Axel [Organic and Biomolecular Chemistry, 2014, vol. 12, # 28, p. 5267 - 5277]

Tags: 18984-21-9 synthesis path| 18984-21-9 SDS| 18984-21-9 COA| 18984-21-9 purity| 18984-21-9 application| 18984-21-9 NMR| 18984-21-9 COA| 18984-21-9 structure

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