Benzenoids
1-Naphthoic acid, 98%
CAS: 86-55-5 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.183 MDL Number: MFCD00004007 InChI Key: LNETULKMXZVUST-UHFFFAOYSA-N Synonym: 1-naphthoic acid,1-naphthalenecarboxylic acid,1-carboxynaphthalene,naphthoic acid,alpha-naphthoic acid,naphthalenecarboxylic acid,carboxynaphthalene,alpha-naphthylcarboxylic acid,naphthalene-alpha-carboxylic acid,unii-2niv4o66bh PubChem CID: 6847 ChEBI: CHEBI:36466 IUPAC Name: naphthalene-1-carboxylic acid SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)O
Trimethyl orthobenzoate, 98%
CAS: 707-07-3 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00008474 InChI Key: IECKAVQTURBPON-UHFFFAOYSA-N Synonym: trimethyl orthobenzoate,trimethoxymethyl benzene,methyl orthobenzoate,benzene, trimethoxymethyl,trimethylorthobenzoate,orthobenzoic acid, trimethyl ester,orthobenzoic acid trimethyl ester,alpha,alpha,alpha-trimethoxytoluene,trimethoxyphenylmethane,trimethyl orthobeznoate PubChem CID: 69720 IUPAC Name: trimethoxymethylbenzene SMILES: COC(C1=CC=CC=C1)(OC)OC
2-Hydroxy-5-nitrobenzaldehyde, 98%
CAS: 97-51-8 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007337 InChI Key: IHFRMUGEILMHNU-UHFFFAOYSA-N Synonym: 5-nitrosalicylaldehyde,benzaldehyde, 2-hydroxy-5-nitro,salicylaldehyde, 5-nitro,5-nitrosaliclaldehyde,2-hydroxy-5-nitro-benzaldehyde,5-nitro salicylaldehdye,timtec-bb sbb003885,labotest-bb lt00920994,salicylaldehyde, 5-nitro-6ci,7ci,8ci,pubchem2052 PubChem CID: 66808 IUPAC Name: 2-hydroxy-5-nitrobenzaldehyde SMILES: OC1=CC=C(C=C1C=O)[N+]([O-])=O
3-(Trifluoromethyl)phenyltrimethylammonium hydroxide, 5% w/v in methanol
CAS: 68254-41-1 Molecular Formula: C10H14F3NO Molecular Weight (g/mol): 221.223 MDL Number: MFCD00059473 InChI Key: BFPOZPZYPNVMHU-UHFFFAOYSA-M Synonym: 3-trifluoromethyl phenyltrimethylammonium hydroxide,m-tfptah,trifluoromethylphenyltrimethylammoniumhydroxide,3-trifluoromethyl phenyltrimethylammonium hydroxide in methanol,n,n,n-trimethyl-3-trifluoromethyl anilinium hydroxide,trimethyl-3-trifluoromethyl phenyl azanium hydroxide,m-trifluoromethylphenyl trimethylammonium hydroxide,trimethyl-3-trifluoromethylphenylammonium hydroxide,n,n,n-trimethyl-3-trifluoromethyl anilinium oxidanide,trimethyl-alpha,alpha,alpha-trifluoro-m-tolylammonium hydroxide PubChem CID: 2760772 IUPAC Name: trimethyl-[3-(trifluoromethyl)phenyl]azanium;hydroxide SMILES: C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[OH-]
9,10-Bis(phenylethynyl)anthracene
CAS: 10075-85-1 Molecular Formula: C30H18 Molecular Weight (g/mol): 378.474 MDL Number: MFCD00012050 InChI Key: ZHBOFZNNPZNWGB-UHFFFAOYSA-N Synonym: 9,10-bis phenylethynyl anthracene,9,10-bis 2-phenylethynyl anthracene,anthracene, 9,10-bis phenylethynyl,bpea,anthracene, 9,10-bis 2-phenylethynyl,bis phcc-anthracene,unii-fc8jdb70dq,9,10-bis phenylvinyl anthracene,fc8jdb70dq,9,10-bis-phenylethynyl anthracene PubChem CID: 82338 ChEBI: CHEBI:51675 IUPAC Name: 9,10-bis(2-phenylethynyl)anthracene SMILES: C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5
2,3-Dimethoxyphenol, 98%
CAS: 5150-42-5 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.165 MDL Number: MFCD00008366 InChI Key: QSZCGGBDNYTQHH-UHFFFAOYSA-N Synonym: dimethoxyphenol,phenol, dimethoxy,unii-ow147i6c84,1-hydroxy-2,3-dimethoxybenzene,pyrogallol 1,2-dimethyl ether,phenol, 2,3-dimethoxy,phenol,3-dimethoxy,2,3-di-methoxyphenol,2,3-dim ethoxyphenol,2,3-dimethoxy phenol PubChem CID: 78828 IUPAC Name: 2,3-dimethoxyphenol SMILES: COC1=CC=CC(=C1OC)O
3,4,5-Trihydroxybenzaldehyde hydrate, 97%
CAS: 13677-79-7 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00003371 InChI Key: RGZHEOWNTDJLAQ-UHFFFAOYSA-N Synonym: gallaldehyde,benzaldehyde, 3,4,5-trihydroxy,pyrogallol-5-carboxaldehyde,3,4,5-trihydroxy benzaldehyde,pubchem21300,3,4,5-trihydroxybenz,acmc-209c9s,3,4,5-trihydroxybenzaldhyde,3,4,5-trihydroxy-benzaldehyde,3,4,5-tris oxidanyl benzaldehyde PubChem CID: 83651 IUPAC Name: 3,4,5-trihydroxybenzaldehyde SMILES: OC1=CC(C=O)=CC(O)=C1O
(4-Fluorophenylthio)acetic acid, 97%
CAS: 332-51-4 Molecular Formula: C8H7FO2S Molecular Weight (g/mol): 186.2 MDL Number: MFCD00219825 InChI Key: HQEROVXUKINLPI-UHFFFAOYSA-N Synonym: 4-fluorophenylthio acetic acid,2-4-fluorophenylthio acetic acid,2-4-fluorophenyl thio acetic acid,4-fluorophenyl thio acetic acid,4-fluorophenyl sulfanyl acetic acid,maybridge1_004918,acmc-20apn5,4-fluoro-phenylsulfanyl-acetic acid,2-4-fluorophenyl sulfanylacetic acid PubChem CID: 736197 IUPAC Name: 2-(4-fluorophenyl)sulfanylacetic acid SMILES: C1=CC(=CC=C1F)SCC(=O)O
2-Nitrophenylacetonitrile, 98%
CAS: 610-66-2 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00007183 InChI Key: YPRFCQAWSNWRLM-UHFFFAOYSA-N Synonym: 2-nitrophenylacetonitrile,2-2-nitrophenyl acetonitrile,2-nitrophenyl acetonitrile,benzeneacetonitrile, 2-nitro,2-nitrobenzyl cyanide,o-nitrophenyl acetonitrile,o-nitrobenzacetonitrile,2-nitrobenzeneacetonitrile,2-nitrobenzyl nitrile,acetonitrile, o-nitrophenyl PubChem CID: 11888 IUPAC Name: 2-(2-nitrophenyl)acetonitrile SMILES: [O-][N+](=O)C1=CC=CC=C1CC#N
4-Bromostyrene, 98%, stab. with 0.1% 4-tert-butylcatechol
CAS: 2039-82-9 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.05 MDL Number: MFCD00000110 InChI Key: WGGLDBIZIQMEGH-UHFFFAOYSA-N Synonym: 4-bromostyrene,1-bromo-4-vinylbenzene,p-bromostyrene,benzene, 1-bromo-4-ethenyl,styrene, p-bromo,1-4-bromophenyl ethylene,unii-tvk4s80xlu,p-bromo styrene,1-bromo-4-vinyl-benzene,tvk4s80xlu PubChem CID: 16263 IUPAC Name: 1-bromo-4-ethenylbenzene SMILES: BrC1=CC=C(C=C)C=C1
4-Iodobenzyl bromide, 97%
CAS: 16004-15-2 Molecular Formula: C7H6BrI Molecular Weight (g/mol): 296.933 MDL Number: MFCD00209656 InChI Key: BQTRMYJYYNQQGK-UHFFFAOYSA-N Synonym: 4-iodobenzyl bromide,1-bromomethyl-4-iodobenzene,4-iodobenzylbromide,p-iodobenzyl bromide,1-bromomethyl-4-iodo-benzene,alpha-bromo-4-iodotoluene,4-bromomethyl-1-iodobenzene,benzene, 1-bromomethyl-4-iodo,4-iodo benzyl bromide PubChem CID: 954258 IUPAC Name: 1-(bromomethyl)-4-iodobenzene SMILES: C1=CC(=CC=C1CBr)I
5-Bromo-2,4-dihydroxybenzoic acid, 97%
CAS: 7355-22-8 Molecular Formula: C7H5BrO4 Molecular Weight (g/mol): 233.02 MDL Number: MFCD00002452 InChI Key: ZRBCISXJLHZOMS-UHFFFAOYSA-N Synonym: benzoic acid, 5-bromo-2,4-dihydroxy,5-bromo-beta-resorcylic acid,2,4-dihydroxy-5-bromobenzoic acid,5-bromo-.beta.-resorcylic acid,.beta.-resorcylic acid, 5-bromo,5-bromo-2,4-dihydroxy-benzoic acid,beta-resorcylic acid, 5-bromo,5-bromo-2,4-dihydroxy-benzoicacid,5-bromo-2,4-dihydroxybenzoicacid,5-bromo-b-resorcylic acid PubChem CID: 81814 IUPAC Name: 5-bromo-2,4-dihydroxybenzoic acid SMILES: OC(=O)C1=CC(Br)=C(O)C=C1O
2-Fluoro-4-(trifluoromethyl)benzaldehyde, 97%
CAS: 89763-93-9 Molecular Formula: C8H4F4O Molecular Weight (g/mol): 192.113 MDL Number: MFCD00061310 InChI Key: KFEHNXLFIGPWNB-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl benzaldehyde,benzaldehyde, 2-fluoro-4-trifluoromethyl,pubchem4235,acmc-209r2s,ksc496e9p,attercop-chm at111109,a,a,a,2-tetrafluoro-p-tolualdehyde,2-fluoro-4-trifluoromethyl benzaldehy,2-fluoro-4-trifluoromethyl-benzaldehyde,2-fluoro4-trifluoromethyl benzaldehyde PubChem CID: 522929 IUPAC Name: 2-fluoro-4-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=C(C=C1C(F)(F)F)F)C=O
6-Bromo-2-naphthol, 97%
CAS: 15231-91-1 Molecular Formula: C10H7BrO Molecular Weight (g/mol): 223.069 MDL Number: MFCD00004081 InChI Key: YLDFTMJPQJXGSS-UHFFFAOYSA-N Synonym: 6-bromo-2-naphthol,2-naphthalenol, 6-bromo,6-bromo-naphthalen-2-ol,6-bromo-2-naphthalenol,bromo-6 naphtol-2,6-bromo2-hydroxynaphthalene,unii-87f10ahz3o,bromo-6 naphtol-2 french,2-naphthol, 6-bromo,6-bromo-beta-naphthol PubChem CID: 27144 ChEBI: CHEBI:34466 IUPAC Name: 6-bromonaphthalen-2-ol SMILES: C1=CC2=C(C=CC(=C2)Br)C=C1O
3-Bromo-4-chloroanisole, 98%
CAS: 2732-80-1 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.48 MDL Number: MFCD00070739 InChI Key: SQHMXVXKKCXIGN-UHFFFAOYSA-N Synonym: 3-bromo-4-chloroanisole,4-chloro-3-bromoanisole,2-chloro-5-methoxybromobenzene,benzene, 2-bromo-1-chloro-4-methoxy,3-bromo-4-chlorophenyl methyl ether,pubchem4555,acmc-1clwv,3-bromo-4-chloroamizole,ksc497k1d,2-chloro-5-methoxy-bromobenzene PubChem CID: 24212081 IUPAC Name: 2-bromo-1-chloro-4-methoxybenzene SMILES: COC1=CC(Br)=C(Cl)C=C1