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Chemistry
Organic Building Blocks
Aryls
naphthalene
Naphthalene-2,6-disulfonyl dichloride
Chemistry
Organic Building Blocks
Aryls
Chlorides Sulfonyl Chlorides Benzene Compounds
naphthalene
dichloride Aryls ∩ Sulfonyl Chlorides

[ CAS No. 13827-62-8 ] {[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| 13827-62-8
Chemical Structure| 13827-62-8
Structure of 13827-62-8 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 13827-62-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 13827-62-8 ]

SDS Specification
Alternatived Products of [ 13827-62-8 ]

Product Details of [ 13827-62-8 ]

CAS No. :13827-62-8 MDL No. :MFCD00085805
Formula : C10H6Cl2O4S2 Boiling Point : -
Linear Structure Formula :- InChI Key :VPLHHUICIOEESV-UHFFFAOYSA-N
M.W : 325.19 Pubchem ID :581160
Synonyms :

Calculated chemistry of [ 13827-62-8 ]

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 70.11
TPSA : 85.04 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.0 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.94
Log Po/w (XLOGP3) : 3.22
Log Po/w (WLOGP) : 4.86
Log Po/w (MLOGP) : 2.04
Log Po/w (SILICOS-IT) : 1.87
Consensus Log Po/w : 2.78

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.16
Solubility : 0.0223 mg/ml ; 0.0000686 mol/l
Class : Moderately soluble
Log S (Ali) : -4.68
Solubility : 0.00682 mg/ml ; 0.000021 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.13
Solubility : 0.0024 mg/ml ; 0.00000738 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.99

Safety of [ 13827-62-8 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310 UN#:3261
Hazard Statements:H314 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 13827-62-8 ]

* 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 [ 13827-62-8 ]
  • Downstream synthetic route of [ 13827-62-8 ]

[ 13827-62-8 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 1655-45-4 ]
  • [ 13827-62-8 ]
Reference： [1] Journal of the American Chemical Society, 2011, vol. 133, # 49, p. 19864 - 19877
[2] Organic Letters, 2012, vol. 14, # 21, p. 5404 - 5407
[3] Journal of the American Chemical Society, 2011, vol. 133, # 30, p. 11426 - 11429
  • 2
  • [ 581-75-9 ]
  • [ 13827-62-8 ]
Reference： [1] Journal of Organic Chemistry USSR (English Translation), 1985, vol. 21, # 1, p. 145 - 148[2] Zhurnal Organicheskoi Khimii, 1985, vol. 21, # 1, p. 161 - 164
[3] Chemical Communications, 2001, # 14, p. 1312 - 1313

Tags: 13827-62-8 synthesis path| 13827-62-8 SDS| 13827-62-8 COA| 13827-62-8 purity| 13827-62-8 application| 13827-62-8 NMR| 13827-62-8 COA| 13827-62-8 structure

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Categories
Chemistry
Organic Building Blocks
Benzene Compounds
naphthalene
Chemistry
Organic Building Blocks
Chlorides
dichloride
Chemistry
Organic Building Blocks
Sulfonyl Chlorides
Aryls ∩ Sulfonyl Chlorides
Chemistry
Organic Building Blocks
Aryls
Aryls ∩ Sulfonyl Chlorides
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