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

BAL

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pubchem

Benzaldehyde

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Data

InChI: InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H

Synonyms: BAL,Ald3.1-H_000798,ZINC895145,Benzoyl hydride,BENZALDEHYDE [MI],CHEMBL15972,benzanoaldehyde,CCRIS 2376,DSSTox_CID_134,BENZOYLL PEROXIDE HYDROUS IMPURITY A [EP IMPURITY],BENZALDEHYDE [HSDB],benzaldehyde,Benzenecarbonal,benzaldehye,C00193,SR-01000944375-1,Benzaldehyde FFC,Benzaldehyde (natural),Synthetic oil of bitter almond,Benzaldehyde, LR, >=99%,Benzaldehyde, analytical standard,SCHEMBL573,benzaidehyde,Benzaldehyde, >=98%, FG, FCC,benzaldehyd,Artificial almond oil,Benzaldehyde, purum, >=98.0% (GC),NSC7917,Benzaldehyde,(S),FENTANYL IMPURITY E [EP IMPURITY],EINECS 202-860-4,Phenylmethanal benzenecarboxaldehyde,Benzaldehyde, ReagentPlus(R), >=99%,BDBM50139371,A800226,NCGC00258188-01,Benzadehyde,NSC-7917,NCGC00091819-03,BENZALDEHYDE SPIRIT [WHO-DD],Benzaldehyde, SAJ special grade, >=98.0%,FT-0622626,CCG-266041,Artificial essential oil of almond,TRIBENOSIDE IMPURITY C [EP IMPURITY],bitter almond oil synthetic,BENZALDEHYDE [VANDF],Benzene carboxaldehyde,BENZALDEHYDE [USP-RS],BENZYL ALCOHOL IMPURITY A [EP IMPURITY],BENZALDEHYDE [FHFI],STL194067,phenyl-methanone,Tox21_200634,F1294-0144,FT-0622622,NCGC00091819-02,DTXSID8039241,Ald3.1-H_000160,55279-75-9,Tox21_113069,BENZALDEHYDE [USP IMPURITY],FEMA No. 2127,B2379,AMFETAMINE SULFATE IMPURITY D [EP IMPURITY],EC 202-860-4,AKOS000119172,Benzaldehyde [NF],Phenylformaldehyde,Benzyaldehyde,Benzene carbaldehyde,D02314,EPA Pesticide Chemical Code 008601,CHEBI:17169,Bitter almond oil, synthetic,BENZALDEHYDE [FCC],Benzaldehyde, natural, >=98%, FCC, FG,100-52-7,Benzoic aldehyde,Benzaldehyde (NF),NSC 7917,Benzaldehyde, Vetec(TM) reagent grade, 98%,BENZALKONIUM CHLORIDE IMPURITY B [EP IMPURITY],2vj1,UN1990,s5574,Benzaldehyde, European Pharmacopoeia (EP) Reference Standard,DSSTox_RID_79432,MFCD00801585,HYDROUS BENZOYL PEROXIDE IMPURITY A [EP IMPURITY],Benzaldehyde-[13C6],NCI-C56133,NA 1989,Benzaldehyde 1000 microg/mL in Dichloromethane,FENTANYL CITRATE IMPURITY E [EP IMPURITY],Benzene methylal,Artifical essential oil of almond,Benzaldehyde, United States Pharmacopeia (USP) Reference Standard,Benzaldehyde, purified by redistillation, >=99.5%,Ethereal oil of bitter almonds,Almond artificial essential oil,Aromatic aldehyde,Benzoylwasserstoff,Oil Of bitter almond,ghl.PD_Mitscher_leg0.170,Ald3.1-H_000479,Ald3-H_000012,DB-023673,Benzenemethylal,Benzaldhyde,Artificial bitter almond oil,TA269SD04T,C00261,Benzaldehyde, for synthesis, 95.0%,Benzaldehyde, Pharmaceutical Secondary Standard; Certified Reference Material,Caswell No. 076,Benzylaldehyde,Benzaldehyde, methyl-,BENZALDEHYDE [MART.],Benzaldehyde, AR, >=99%,AI3-09931,HSDB 388,Benzaldehyde, puriss. p.a., >=99.0% (GC),MFCD00003299,Benzaldehyde [UN1990] [Class 9],CAS-100-52-7,BIDD:ER0249,SR-01000944375,Benzaldehyde on polystyrene, 0.8-1.5 mmol/g,GLYCOPYRRONIUM BROMIDE IMPURITY F [EP IMPURITY],NCGC00091819-01,Benzaldehyde spirit,8013-76-1,benzaldehvde,benzaldeyde,NATURAL RSTD CASSIA OIL DIST FLAVOR,Benzaldehyde,Phenylmethanal,DSSTox_GSID_39241,Natural Benzaldehyde,UNII-TA269SD04T,Benzoic acid aldehyde,PhCHO,PS-11959,(phenyl)methanone,BDBM60953,Tox21_113244,Benzenecarboxaldehyde,BENZALDEHYDE [INCI],BENZALDEHYDE [II],WLN: VHR,Q372524


Estimated data

Solubility: -0.631 (log(S) in mol/L prediction using SolTranNet)

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

Addictivity Prediction: 63.0% (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.