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Chemistry
Organic Building Blocks
Aryls
1-naphthaldehyde
2-Bromo-1-naphthaldehyde
Chemistry
Organic Building Blocks
Aryls
Bromides Aldehydes Benzene Compounds
1-naphthaldehyde
naphthaldehyde

[ CAS No. 269066-75-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 269066-75-3
Chemical Structure| 269066-75-3
Structure of 269066-75-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 269066-75-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 269066-75-3 ]

SDS Specification
Alternatived Products of [ 269066-75-3 ]
Product Citations

Product Details of [ 269066-75-3 ]

CAS No. :269066-75-3 MDL No. :MFCD17012542
Formula : C11H7BrO Boiling Point : No data available
Linear Structure Formula :- InChI Key :XJIPTTLNJAQLLR-UHFFFAOYSA-N
M.W : 235.08 Pubchem ID :11447672
Synonyms :

Calculated chemistry of [ 269066-75-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 57.04
TPSA : 17.07 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.37 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.98
Log Po/w (XLOGP3) : 3.33
Log Po/w (WLOGP) : 3.41
Log Po/w (MLOGP) : 3.17
Log Po/w (SILICOS-IT) : 3.79
Consensus Log Po/w : 3.14

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.9
Solubility : 0.0297 mg/ml ; 0.000126 mol/l
Class : Soluble
Log S (Ali) : -3.37
Solubility : 0.101 mg/ml ; 0.000431 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.88
Solubility : 0.00309 mg/ml ; 0.0000132 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.18

Safety of [ 269066-75-3 ]

Signal Word:Warning Class:
Precautionary Statements:P305+P351+P338 UN#:
Hazard Statements:H302-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 269066-75-3 ]

* 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 [ 269066-75-3 ]

[ 269066-75-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 244205-40-1 ]
  • [ 269066-75-3 ]
  • [ 479-79-8 ]
Reference： [1]Tetrahedron Letters,2010,vol. 51,p. 5604 - 5608

Tags: 269066-75-3 synthesis path| 269066-75-3 SDS| 269066-75-3 COA| 269066-75-3 purity| 269066-75-3 application| 269066-75-3 NMR| 269066-75-3 COA| 269066-75-3 structure

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Categories
Chemistry
Organic Building Blocks
Aldehydes
1-naphthaldehyde
Chemistry
Organic Building Blocks
Aryls
1-naphthaldehyde
Chemistry
Organic Building Blocks
Benzene Compounds
naphthaldehyde
Chemistry
Organic Building Blocks
Bromides

Technical Information

• Alkyl Halide Occurrence • Barbier Coupling Reaction • Baylis-Hillman Reaction • Benzylic Oxidation • Birch Reduction • Blanc Chloromethylation • Bucherer-Bergs Reaction • Clemmensen Reduction • Complex Metal Hydride Reductions • Corey-Chaykovsky Reaction • Corey-Fuchs Reaction • Fischer Indole Synthesis • Friedel-Crafts Reaction • General Reactivity • Grignard Reaction • Hantzsch Dihydropyridine Synthesis • Henry Nitroaldol Reaction • Hiyama Cross-Coupling Reaction • Horner-Wadsworth-Emmons Reaction • Hydride Reductions • Hydrogenolysis of Benzyl Ether • Julia-Kocienski Olefination • Kinetics of Alkyl Halides • Knoevenagel Condensation • Kumada Cross-Coupling Reaction • Leuckart-Wallach Reaction • McMurry Coupling • Meerwein-Ponndorf-Verley Reduction • Mukaiyama Aldol Reaction • Nozaki-Hiyama-Kishi Reaction • Passerini Reaction • Paternò-Büchi Reaction • Petasis Reaction • Pictet-Spengler Tetrahydroisoquinoline Synthesis • Preparation of Aldehydes and Ketones • Preparation of Alkylbenzene • Preparation of Amines • Prins Reaction • Reactions of Aldehydes and Ketones • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Dihalides • Reformatsky Reaction • Schlosser Modification of the Wittig Reaction • Schmidt Reaction • Stetter Reaction • Stille Coupling • Stobbe Condensation • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Tebbe Olefination • Ugi Reaction • Vilsmeier-Haack Reaction • Wittig Reaction • Wolff-Kishner Reduction
Historical Records

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; ;