630-580-1088 sales@ambeed.com
Structure Search

List Search MOL Search Structure Search

0
Chemistry
Boronic acids/esters >>1,3,2-DioxaborinaneAliphatic BoronsAromatic BoronsBCATBoric AcidsMIDA BoronatesOther BoronatesOther BoronsOxaborolesCatalysis Chemistry >>Achiral Crown LigandsC-H ActivationCarbon-Donor LigandsChiral Carbon LigandsChiral Crown LigandsChiral Olefin LigandsCross-CouplingCross-Coupling Using Transition Metal CatalystsDACH or Trost LigandsChemical Biology >>Conjugation Chemistry
GlycoscienceLinkers and CrosslinkersNucleic Acid ChemistryPEGylationPeptide ChemistryPhotolabile Protecting GroupHeterocyclic Building Blocks >>AcridinesAliphatic HeterocyclesAromatic HeterocyclesAzetidinesBenzimidazolesBenzisoxazolesBenzodioxansBenzofuransBenzothiazolesInorganic reagents >>Inorganic ReagentOrganic Building Blocks >>Acid AnhydridesAcyl ChloridesAlcohols
AldehydesAliphatic Chain HydrocarbonsAliphatic Cyclic HydrocarbonsAlkenesAlkylsAlkynesOrganometallic Reagents >>Grignard ReagentsOrganoarsenicOrganobismuthOrganoboronOrganogermaniumOrganolithiumOrganomercuryOrganosiliconOrganotinSpecialty Synthesis >>Enzyme-Mediated SynthesisFluorous SynthesisIonic LiquidsSolid Supported SynthesisStains and Dyes >>
Acid DyesAzoic DyesBasic DyesDirect DyesDisperse DyesDye IntermediatesMordant DyesOil DyesOther Stains and DyesSynthetic Reagents >>Acids and BasesC-C Bond FormationC-X Bond Formation (Halogen)C-X Bond Formation (Non-Halogen)Chelation and Complexation CompoundsCondensation AgentsCouplingDehydrating ReagentsFluorination Reagent
Pharmaceutical Intermediates
Analgesics >>BenzhydrocodoneBicifadineCapsaicinCelecoxibDebio-0827DexamethasoneElagolix SodiumEsketamine HydrochlorideIbuprofen SodiumAnesthetics >>CiprofolEsketamine HydrochlorideFospropofol Fospropofol DisodiumLevobupivacaine RemimazolamRemimazolam BesilateRemimazolam BesylateRopivacaineAnti-Addiction Agents >>Kakonein
Lofexidine HydrochlorideVarenicline Anti-inflammatory Agents >>ApremilastAsunaprevirATB-346 RelatedBalsalazide BaricitinibBencycloquidium BromideBudesonideCefiderocol Sulfate TosylateCeftaroline Fosamil AcetateAntibacterials >>AFN-1252 RelatedAlatrofloxacin Bedaquiline FumarateBesifloxacin BrilacidinCaspofungin AcetateCefiderocol Sulfate TosylateCefilavancinCeftaroline Fosamil
Anticonvulsants >>BrivaracetamCannabidiolEscitalopram OxalateEslicarbazepine Acetate RelatedFosphenytoinGabapentin EnacarbilJNJ-10234094LacosamideLevetiracetam RelatedAntidementia Agents >>Azeliragon RelatedDavunetideDonepezil HydrochlorideDonepezil RelatedEnsaculinFlorbetaben Flortaucipir F 18Flutemetamol IdalopirdineAntidepressants >>4-Chlorokynurenine
AgomelatineAgomelatine RelatedAllopregnanolone RelatedAmibegronAmitifadineAripiprazole RelatedBasimglurantBefloxatoneAntiemetics >>AprepitantAprepitant RelatedDolasetron RelatedDolasetron Mesylate HydrateFosaprepitant DimeglumineFosaprepitant RelatedOlanzapinePalonosetron RelatedPalonosetron HydrochlorideAntifungals >>Anidulafungin RelatedCabotegravirMore >>
Inhibitors/Agonists
ADC >>ADC AntibodyADC LinkerADC Linker with PayloadADC ToxinAntibody-Drug Conjugates (ADCs)Drug-Linker Conjugates for ADCAngiogenesis >>ALKBcr-AblBTKEGFRFAKFGFRFLT3HER2HIFAnti-infection >>3CLproAntibacterialAntibioticAntifungal
AntiparasiticAntiprotozoalAntiviralArenavirusBVDVApoptosis >>Apoptosis InducerBcl-2Bcl-6BRKc-Mycc-RETC/EBPCARDCaspaseAutophagy >>Atg4ATG4BATTECsAUTACsAutophagyBeclin1
FKBPLC3LRRK2Biochemical Reagent >>Cell Cycle >>AntifolateAPCAurora KinaseBUBCasein KinaseCdc25CDKChkCRISPR/Cas9Cytoskeleton >>ActinArp2/3 ComplexCYTHCytoplasmic DyneinDynaminFAKMore >>
Material Science
Aggregation-Induced Emission >>Other AIE BlocksTetraphenylethylene SeriesCOFs Linkers >>Aldehyde COFs LinkersAlkynyl COFs LinkersAmine COFs LinkersBoric COFs LinkersCyano COFs LinkersMultifunctional COFs linkersOther COFs linkersTriptycene SeriesElectronic Materials >>Battery MaterialsDye-Sensitized Solar Cell (DSSC) MaterialsElectronic MaterialLiquid Crystal (LC) MaterialsMolecular ConductorsOrganic Light-Emitting Diode (OLED) MaterialsOrganic Solar Cell (OPV) MaterialsOrganic Transistor (OFET) MaterialsPerovskite Solar Cell (PSC) MaterialsMagnetic Materials >>Magnetic Ionic LiquidsMagnetic MaterialMagnetic Metal Complexes
Organic Radicals Material Chemical Compounds >>Ligands for Functional Metal ComplexesLiquid Crystal (LC) Building BlocksPhthalocyanine Building BlocksPolymer and Macromolecule Semiconductor Building BlocksSmall Molecule Semiconductor Building BlocksSolubility Enhancing Reagents Supramolecular Host Materials MOF Ligands >>Carboxylic Acid MOF LigandsCarboxylic Acid Nitrogen-Containing Mixed MOF LigandsNitrogen-Containing MOF LigandsOther MOF LigandsNanomaterials >>Carbon NanomaterialsCeramic MembranesDendrimersGold NanoparticlesIron Oxide NanoparticlesMaterials by ApplicationMesoporous MaterialsMetals and Metal AlloysNano Minerals: NanoclaysOLED Materials >>Dopant
HostHTMOLED IntermediatesOther OLED related materialsOptical Materials >>Coumarin DyesCyanine and Squarylium DyesDCM DyesDipyrromethene DyesFluorescence MaterialsFluorescent ProbesHeat and Pressure Sensitive DyesNear-Infrared (NIR) DyesOrganic Non-Linear Optical (NLO) MaterialsOrganic Pigments >>Organic PigmentOther Materials >>Material OtherPolymer Science >>MonomersPolymer AdditivesPolymerization ReagentsPolymersResins
Contact Us
Home Cart 0 Sign in  
Chemistry
Organic Building Blocks
Benzimidazoles
3-chlorophenol
(6-Chloro-1H-benzo[d]imidazol-2-yl)methanol
Chemistry
Organic Building Blocks
Heterocyclic Building Blocks
Benzimidazoles
Chlorides Alcohols Phenols
3-chlorophenol

[ CAS No. 6953-65-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6953-65-7
Chemical Structure| 6953-65-7
Structure of 6953-65-7 * 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]}

For Research Only 120K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 6953-65-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 6953-65-7 ]

SDS Specification
Alternatived Products of [ 6953-65-7 ]
Product Citations

Product Details of [ 6953-65-7 ]

CAS No. :6953-65-7 MDL No. :MFCD09971879
Formula : C8H7ClN2O Boiling Point : No data available
Linear Structure Formula :- InChI Key :NIWRFQPRPJVQLO-UHFFFAOYSA-N
M.W : 182.61 Pubchem ID :23383
Synonyms :

Calculated chemistry of [ 6953-65-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.12
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 47.23
TPSA : 48.91 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) : -6.2 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.96
Log Po/w (XLOGP3) : 1.71
Log Po/w (WLOGP) : 1.56
Log Po/w (MLOGP) : 1.02
Log Po/w (SILICOS-IT) : 2.48
Consensus Log Po/w : 1.55

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.54
Solubility : 0.529 mg/ml ; 0.00289 mol/l
Class : Soluble
Log S (Ali) : -2.35
Solubility : 0.81 mg/ml ; 0.00444 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.36
Solubility : 0.0804 mg/ml ; 0.000441 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.68

Safety of [ 6953-65-7 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338-P310 UN#:
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:
GHS Pictogram:

Tags: 6953-65-7 synthesis path| 6953-65-7 SDS| 6953-65-7 COA| 6953-65-7 purity| 6953-65-7 application| 6953-65-7 NMR| 6953-65-7 COA| 6953-65-7 structure

Recommend Products
Same Skeleton Products
Related Products
Isomers
Categories
Chemistry
Organic Building Blocks
Chlorides
3-chlorophenol
Chemistry
Organic Building Blocks
Phenols
3-chlorophenol
Chemistry
Heterocyclic Building Blocks
Benzimidazoles
Chemistry
Organic Building Blocks
Alcohols

Technical Information

• Acidity of Phenols • Alkyl Halide Occurrence • Appel Reaction • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Chugaev Reaction • Corey-Kim Oxidation • Dess-Martin Oxidation • Electrophilic Substitution of the Phenol Aromatic Ring • Etherification Reaction of Phenolic Hydroxyl Group • General Reactivity • Grignard Reaction • Halogenation of Phenols • Hiyama Cross-Coupling Reaction • Hydride Reductions • Jones Oxidation • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Martin's Sulfurane Dehydrating Reagent • Mitsunobu Reaction • Moffatt Oxidation • Oxidation of Alcohols by DMSO • Oxidation of Phenols • Pechmann Coumarin Synthesis • Preparation of Alcohols • Preparation of Aldehydes and Ketones • Preparation of Amines • Reactions of Alcohols • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions with Organometallic Reagents • Reimer-Tiemann Reaction • Ritter Reaction • Sharpless Olefin Synthesis • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Swern Oxidation
Historical Records

Related Functional Groups of
[ 6953-65-7 ]

Chlorides

Chemical Structure| 6478-79-1

[ 6478-79-1 ]

5,6-Dichloro-2-methylbenzimidazole

Similarity: 0.86

Chemical Structure| 34569-15-8

[ 34569-15-8 ]

6-Chloro-2-ethyl-1H-benzo[d]imidazole

Similarity: 0.83

Chemical Structure| 4887-91-6

[ 4887-91-6 ]

6-Chloro-2-propyl-1H-benzo[d]imidazole

Similarity: 0.81

Chemical Structure| 4886-29-7

[ 4886-29-7 ]

6-Chloro-2-isopropyl-1H-benzo[d]imidazole

Similarity: 0.80

Chemical Structure| 4887-82-5

[ 4887-82-5 ]

6-Chloro-1H-benzo[d]imidazole

Similarity: 0.76

Alcohols

Chemical Structure| 20034-02-0

[ 20034-02-0 ]

(6-Methyl-1H-benzo[d]imidazol-2-yl)methanol

Similarity: 0.78

Chemical Structure| 540516-28-7

[ 540516-28-7 ]

2-(Hydroxymethyl)-5-bromobenzimidazole

Similarity: 0.74

Chemical Structure| 4856-97-7

[ 4856-97-7 ]

(1H-Benzoimidazol-2-yl)methanol

Similarity: 0.74

Chemical Structure| 4589-66-6

[ 4589-66-6 ]

(1,2-Dimethyl-1H-benzo[d]imidazol-5-yl)methanol

Similarity: 0.65

Chemical Structure| 39811-07-9

[ 39811-07-9 ]

(5-Fluoro-1H-benzo[d]imidazol-2-yl)methanol

Similarity: 0.64

Related Parent Nucleus of
[ 6953-65-7 ]

Benzimidazoles

Chemical Structure| 6478-79-1

[ 6478-79-1 ]

5,6-Dichloro-2-methylbenzimidazole

Similarity: 0.86

Chemical Structure| 34569-15-8

[ 34569-15-8 ]

6-Chloro-2-ethyl-1H-benzo[d]imidazole

Similarity: 0.83

Chemical Structure| 4887-91-6

[ 4887-91-6 ]

6-Chloro-2-propyl-1H-benzo[d]imidazole

Similarity: 0.81

Chemical Structure| 4886-29-7

[ 4886-29-7 ]

6-Chloro-2-isopropyl-1H-benzo[d]imidazole

Similarity: 0.80

Chemical Structure| 20034-02-0

[ 20034-02-0 ]

(6-Methyl-1H-benzo[d]imidazol-2-yl)methanol

Similarity: 0.78

; ;