Benzenoids
2-Nitrobenzyl alcohol, 97%
CAS: 612-25-9 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007186 InChI Key: BWRBVBFLFQKBPT-UHFFFAOYSA-N Synonym: 2-nitrobenzyl alcohol,2-nitrophenyl methanol,o-nitrobenzyl alcohol,benzyl alcohol, o-nitro,benzenemethanol, 2-nitro,2-nitrobenzenemethanol,o-hydroxymethylnitrobenzene,ccris 7967,benzenemethanol, nitro,2-nitrophenyl methan-1-ol PubChem CID: 11923 IUPAC Name: (2-nitrophenyl)methanol SMILES: OCC1=CC=CC=C1[N+]([O-])=O
Cetirizine dihydrochloride, 99+%
CAS: 83881-52-1 Molecular Formula: C21H27Cl3N2O3 Molecular Weight (g/mol): 461.81 MDL Number: MFCD00941428 InChI Key: PGLIUCLTXOYQMV-UHFFFAOYNA-N Synonym: cetirizine dihydrochloride,zyrtec,reactine,cetirizine hydrochloride,2-2-4-4-chlorophenyl phenyl methyl piperazin-1-yl ethoxy acetic acid dihydrochloride,alerlisin,alercet,alergex,alertisin,cetriler PubChem CID: 55182 IUPAC Name: dihydrogen 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid dichloride SMILES: [H+].[H+].[Cl-].[Cl-].OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
Dobutamine hydrochloride
CAS: 49745-95-1 Molecular Formula: C18H24ClNO3 Molecular Weight (g/mol): 337.84 MDL Number: MFCD00153795 InChI Key: BQKADKWNRWCIJL-UHFFFAOYNA-N Synonym: dobutamine hydrochloride,dobutamine hcl,dobutrex,inotrex,dl-dobutamine hydrochloride,dobutamina clorhidrato spanish,4-2-4-4-hydroxyphenyl butan-2-ylamino ethyl benzene-1,2-diol hydrochloride,+--4-2-3-p-hydroxyphenyl-1-methylpropyl amino ethyl pyrocatechol hydrochloride,1,2-benzenediol, 4-2-3-4-hydroxyphenyl-1-methylpropyl amino ethyl-, hydrochloride, +- PubChem CID: 65324 ChEBI: CHEBI:4671 IUPAC Name: hydrogen 4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol chloride SMILES: [H+].[Cl-].CC(CCC1=CC=C(O)C=C1)NCCC1=CC=C(O)C(O)=C1
3-Methyl-4-nitrobenzoic acid, 99%
CAS: 3113-71-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007168 InChI Key: XDTTUTIFWDAMIX-UHFFFAOYSA-N PubChem CID: 18370 SMILES: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
3-Methoxyphenylacetic acid, 99.5%
CAS: 1798-09-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004334 InChI Key: LEGPZHPSIPPYIO-UHFFFAOYSA-N Synonym: 3-methoxyphenylacetic acid,2-3-methoxyphenyl acetic acid,m-methoxyphenylacetic acid,3-methoxyphenyl acetic acid,3-methoxybenzeneacetic acid,benzeneacetic acid, 3-methoxy,acetic acid, m-methoxyphenyl,unii-25xlo0t6my,3-methoxy-phenyl-acetic acid,25xlo0t6my PubChem CID: 15719 IUPAC Name: 2-(3-methoxyphenyl)acetic acid SMILES: COC1=CC=CC(=C1)CC(=O)O
4-Methylbenzyl cyanide, 98%
CAS: 2947-61-7 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.18 MDL Number: MFCD00001922 InChI Key: RNHKXHKUKJXLAU-UHFFFAOYSA-N Synonym: 4-methylbenzyl cyanide,4-methylphenylacetonitrile,p-tolylacetonitrile,p-methylbenzyl cyanide,2-4-methylphenyl acetonitrile,benzeneacetonitrile, 4-methyl,4-methylphenyl acetonitrile,4-methylbenzeneacetonitrile,4-methylbenzylcyanide,2-p-tolylacetonitrile PubChem CID: 76280 IUPAC Name: 2-(4-methylphenyl)acetonitrile SMILES: CC1=CC=C(CC#N)C=C1
Manidipine dihydrochloride
CAS: 89226-75-5 Molecular Formula: C35H40Cl2N4O6 Molecular Weight (g/mol): 683.627 MDL Number: MFCD00896434 InChI Key: JINNGBXKBDUGQT-UHFFFAOYSA-N Synonym: manidipine hydrochloride PubChem CID: 150762 IUPAC Name: 5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;dihydrochloride SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl
4-Chloro-3-methylbenzoic acid, 98%
CAS: 7697-29-2 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00045853 InChI Key: MRUKIIWRMSYKML-UHFFFAOYSA-N Synonym: 4-chloro-m-toluic acid,4-chloro-3-methyl-benzoic acid,4-chloro-3-methyl benzoic acid,benzoic acid, 4-chloro-3-methyl,m-toluic acid, 4-chloro,pubchem3666,5-carboxy-2-chlorotoluene,acmc-1bg77,ksc497q5r,4-chloranyl-3-methyl-benzoic acid PubChem CID: 282989 IUPAC Name: 4-chloro-3-methylbenzoic acid SMILES: CC1=CC(=CC=C1Cl)C(O)=O
Triphenylmethyl mercaptan, 97%
CAS: 3695-77-0 Molecular Formula: C19H16S Molecular Weight (g/mol): 276.39 MDL Number: MFCD00004854 InChI Key: JQZIKLPHXXBMCA-UHFFFAOYSA-N Synonym: triphenylmethyl mercaptan,trityl mercaptan,tritylthiol,triphenylmethylmercaptan,methanethiol, triphenyl,tritylmercaptan,triphenyl-methanethiol,alpha,alpha-diphenylbenzenemethanethiol,benzenemethanethiol, alpha,alpha-diphenyl,benzenemethanethiol, .alpha.,.alpha.-diphenyl PubChem CID: 77281 IUPAC Name: triphenylmethanethiol SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)S
n-Hexyl benzoate, 98+%
CAS: 6789-88-4 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00051714 InChI Key: UUGLJVMIFJNVFH-UHFFFAOYSA-N Synonym: benzoic acid, hexyl ester,benzoic acid n-hexyl ester,n-hexylbenzoate,n-hexyl benzoate,1-hexyl benzoate,hexylbenzoate,hexylester kyseliny benzoove,benzoic acid hexyl ester,unii-vr3c36ekjr,fema no. 3691 PubChem CID: 23235 IUPAC Name: hexyl benzoate SMILES: CCCCCCOC(=O)C1=CC=CC=C1
3-Chloro-4-fluorothiobenzamide, 97%
CAS: 130560-97-3 Molecular Formula: C7H5ClFNS Molecular Weight (g/mol): 189.632 MDL Number: MFCD00042478 InChI Key: RSGPCKCTKDCMRR-UHFFFAOYSA-N Synonym: 3-chloro-4-fluorothiobenzamide,3-chloro-4-fluorobenzothioamide,3-chloro-4-fluorobenzene-1-carbothioamide,benzenecarbothioamide,3-chloro-4-fluoro,amino 3-chloro-4-fluorophenyl methane-1-thione,acmc-1ccr0,3-chloro-4-fluoro-thiobenzamide,#,3-chloranyl-4-fluoranyl-benzenecarbothioamide,benzenecarbothioamide, 3-chloro-4-fluoro-9ci PubChem CID: 2779521 IUPAC Name: 3-chloro-4-fluorobenzenecarbothioamide SMILES: C1=CC(=C(C=C1C(=S)N)Cl)F
3-Hydroxyphenylacetylene, 97%
CAS: 10401-11-3 Molecular Formula: C8H6O Molecular Weight (g/mol): 118.14 MDL Number: MFCD00078347 InChI Key: AODMJIOEGCBUQL-UHFFFAOYSA-N Synonym: 3-hydroxyphenylacetylene,phenol, 3-ethynyl,m-ethynylphenol,3-ethynyl-phenol,#,3-hydroxy-phenylacetylene,3-hydroxyphenyl acetylene,3-hydroxy-1-ethynylbenzene,phenol, 3-ethynyl-9ci PubChem CID: 139144 IUPAC Name: 3-ethynylphenol SMILES: OC1=CC=CC(=C1)C#C
2-Amino-5-chlorobenzophenone, 98%
CAS: 719-59-5 Molecular Formula: C13H10ClNO Molecular Weight (g/mol): 231.68 MDL Number: MFCD00007839 InChI Key: ZUWXHHBROGLWNH-UHFFFAOYSA-N Synonym: 2-amino-5-chlorobenzophenone,2-amino-5-chlorophenyl phenyl methanone,2-benzoyl-4-chloroaniline,methanone, 2-amino-5-chlorophenyl phenyl,2-amino-5-chlorbenzophenone,5-chloro-2-aminobenzophenone,2-amino-5-chlorobenzylphenone,benzophenone, 2-amino-5-chloro,unii-fr80014zbt,2-amino-5-chlorophenyl phenylmethanone PubChem CID: 12870 IUPAC Name: (2-amino-5-chlorophenyl)-phenylmethanone SMILES: NC1=CC=C(Cl)C=C1C(=O)C1=CC=CC=C1
4-Chlorobenzyl cyanide, 98+%
CAS: 140-53-4 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.6 MDL Number: MFCD00001918 InChI Key: IVYMIRMKXZAHRV-UHFFFAOYSA-N Synonym: 4-chlorobenzyl cyanide,4-chlorophenyl acetonitrile,4-chlorophenylacetonitrile,2-4-chlorophenyl acetonitrile,p-chlorobenzyl cyanide,4-chlorobenzeneacetonitrile,benzeneacetonitrile, 4-chloro,p-chlorophenyl acetonitrile,p-chlorophenylacetonitrile,4-chlorobenzylcyanide PubChem CID: 241582 ChEBI: CHEBI:17346 IUPAC Name: 2-(4-chlorophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)Cl
3,5-Dimethoxyaniline, 98%
CAS: 10272-07-8 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00008392 InChI Key: WNRGWPVJGDABME-UHFFFAOYSA-N Synonym: benzenamine, 3,5-dimethoxy,3,5-dimethoxybenzeneamine,5-aminoresorcinol dimethyl ether,3,5-dimethoxy-phenylamine,3,5-dimethoxyanaline,3,5-dimethoxy aniline,5-aminoresorcinol dimethylether,3,5-dimethoxybenzenamine,3,5-dimethoxyphenylamine,pubchem4423 PubChem CID: 66301 IUPAC Name: 3,5-dimethoxyaniline SMILES: COC1=CC(OC)=CC(N)=C1