WHC is still in active development. Read this to understand our approach.
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isomerdesign

Chlorobenzene

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pubchem

Chlorobenzene

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Data

InChI: InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H

Synonyms: Chlorobenzene, SAJ first grade, >=99.0%,Chlorobenzene, HPLC Grade,p-chlorobenzene-,CHEMBL16200,108-90-7,CHLOROBENZENE [HSDB],C1948,Chlorobenzol(DOT),Chlorobenzene, UV HPLC spectroscopic, 99.5%,Chlorobenzene, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC),Clorobenzene,EINECS 203-628-5,DSSTox_GSID_20298,Monochloorbenzeen,Benzene, chloro-,Chlorobenzene [UN1134] [Flammable liquid],bmse001030,25053-25-2,CHEBI:28097,PS-11980,NSC 8433,Tetrosin SP,NCGC00091678-02,Chloorbenzeen [Dutch],Chlorobenzene, anhydrous, ZerO2(TM), 99.8%,Chlorobenzene (ACD/Name 4.0),C06990,Monoclorobenzene,CHLOROBENZENE [MI],RCRA waste no. U037,MCB,Q407768,FT-0664554,ZINC896527,CHLOROBENZENE [USP-RS],Tox21_201223,68411-45-0,chloro benzene,NSC-8433,CHLOROBENZENE,Chlorobenzene, ReagentPlus(R), 99%,Phenyl chloride,Chlorobenzene ACS grade,C6H5Cl,Chlorobenzene, anhydrous, 99.8%,Ph-Cl,Monochlorbenzol,Chloorbenzeen(DUTCH),Chlorobenzene, analytical standard,Chlorobenzene 100 microg/mL in Methanol,DSSTox_RID_75497,UNII-K18102WN1G,Chlorobenzene, mono-,Monochloorbenzeen [Dutch],Caswell No. 183A,chorobenzene,chloranylbenzene,Monochlorobenzene,FT-0623633,NSC8433,CP 27,Chlorobenzene,Monoclorobenzene [Italian],HSDB 55,Chloorbenzeen,4-chlorobenzene,mono-chlorobenzene,Chlorobenzene, AR, >=99.5%,Chlorbenzene,3-chlorobenzene,NCGC00091678-01,IP Carrier T 40,Chlorinated benzenes,UN 1134,Benzene chloride,EINECS 270-127-6,Chlorbenzol,Clorobenzene(ITALIAN),CAS-108-90-7,BIDD:ER0289,A801940,Monochlorbenzol(GERMAN),SCHEMBL2044,AKOS000120122,EN300-18065,Chlorobenzen,CCRIS 1357,Monochlorbenzol [German],Monoclorobenzene(ITALIAN),F0001-0183,p-chlorobenzene,Monochlorbenzene,Benzene, chlorinated,Chlorobenzene, p.a., 99.5%,AMY40791,UN1134,AI3-07776,PhCl,chloro-benzene,Monochloorbenzeen(DUTCH),Clorobenzene [Italian],chlorobezene,NCGC00258775-01,Chlorobenzene, puriss. p.a., ACS reagent, >=99.5% (GC),Chlorobenzene, Pharmaceutical Secondary Standard; Certified Reference Material,Chlorobenzene, LR, >=99%,Benzene, chloro-, homopolymer,MFCD00000530,Abluton T30,Chlorobenzene, SAJ special grade, >=99.5%,I P Carrier T 40,Chlorobenzene, ACS reagent, >=99.5%,Chlorobenzene, for HPLC, 99.9%,J-520025,EC 203-628-5,DTXSID4020298,chlor-benzene,Chlorobenzen(POLISH),J-002203,1-chlorobenzene,Benzene, chloro derivs.,Chlorobenzene(ITALIAN),Chlorobenzol,K18102WN1G,NCI-C54886,EPA Pesticide Chemical Code 056504,STL282731,WLN: GR,S0645,Chlorobenzenu [Czech],DSSTox_CID_298,Chlorobenzene 10 microg/mL in Isooctane,Chlorobenzen [Polish],Chlorobenzenu


Estimated data

Solubility: -1.91 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 63.3% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.