WHC is still in active development. Read this to understand our approach.
depiction of KCXMKQUNVWSEMD-UHFFFAOYSA-N.svg
isomerdesign

Benzyl chloride

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pubchem

Benzyl Chloride

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Data

InChI: InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2

Synonyms: alpha-chloro-toluene,Tolyl chloride,Benzene, (chloromethyl)-,benzyl choride,Benzyle(chlorure de),CHEBI:615597,Q412260,HSDB 368,Chloromethylbenzene,CCRIS 79,(Chloromethyl)-benzene,Benzyle (chlorure de),B0412,Benzyl chloride, AR, >=99%,1-chloromethylbenzene,EC 202-853-6,Benzylchlorid [German],a-Chlorotoluene,BENZYL CHLORIDE,Toluene, ar-chloro-,alpha-Chlorotoluene,1-(chloromethyl)benzene,DSSTox_CID_153,Benzyl chloride, puriss., >=99.5% (GC),Toluene, alpha-chloro-,Benzyl chloride, purum, >=99.0% (GC),Benzyl chloride, unstabilized,NSC-8043,Benzyl chloride,SCHEMBL7413,CHEMBL498878,DB-058434,MFCD00000889,RCRA waste number P028,ZINC1586371,EINECS 202-853-6,(chloromethyl)benzene,Benzile (cloruro di) [Italian],PhCH2Cl,BENZALKONIUM CHLORIDE IMPURITY C [EP IMPURITY],100-44-7,chloromethyl-benzene,Benzyl chloride, unstabilized [UN1738] [Poison, Corrosive],.omega.-Chlorotoluene,NCI-C06360,CAS-100-44-7,Benzyl chloride, ReagentPlus(R), 99%, contains <=1% propylene oxide as stabilizer,C6H5CH2Cl,(Chloromethyl)benzene,Tox21_200266,NCGC00090818-01,UNII-83H19HW7K6,.alpha.-Chlortoluol,RCRA waste no. P028,NSC 8043,83H19HW7K6,alpha-Chlortoluol [German],BENZYL CHLORIDE [HSDB],.alpha.-Chlorotoluene,Benzile(cloruro di),DSSTox_GSID_20153,UN 1738,DTXSID0020153,alpha-Chlortoluol,FT-0662715,Benzyle (chlorure de) [French],Benzene, (chloromethyl)- (VA,9CL,Benzyl chloride [UN1738] [Poison],C19167,AI3-15518,omega-Chlorotoluene,BnCl,BENZYL CHLORIDE [II],DSSTox_RID_75405,Toluene, .alpha.-chloro-,Benzyl chloride, ReagentPlus,,FT-0622815,Benzile (cloruro di),AKOS000118784,NCGC00090818-02,Benzylchloride,Chlorure de benzyle [French],Phenylmethyl chloride,Benzylchlorid,NSC8043,Chlorure de benzyle,TOLUENE,ALPHA-CHLORO,UN1738,WLN: G1R,Chlorophenylmethane,NCGC00257820-01,Benzene, chloromethyl-,BENZYL CHLORIDE [USP-RS],Q-200697,benzyi chloride,BENZYL CHLORIDE [MI],benzyl-chloride

Estimated data

Solubility: -2.289 (log(S) in mol/L prediction using SolTranNet)

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

Addictivity Prediction: 63.6% (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.