Benzenoids
o-Phenylenediacetonitrile, 99+%
CAS: 613-73-0 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.19 MDL Number: MFCD00001905 InChI Key: FWPFXBANOKKNBR-UHFFFAOYSA-N Synonym: 1,2-phenylenediacetonitrile,o-phenylenediacetonitrile,1,2-bis cyanomethyl benzene,o-xylylene dicyanide,2-2-cyanomethyl phenyl acetonitrile,o-benzenediacetonitrile,2,2'-1,2-phenylene diacetonitrile,o-bis cyanomethyl benzene,1,2-benzenediacetonitrile,o-benzendiacetonitrile PubChem CID: 69180 IUPAC Name: 2-[2-(cyanomethyl)phenyl]acetonitrile SMILES: N#CCC1=CC=CC=C1CC#N
2-Phenylphenol, 99+%
CAS: 90-43-7 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00002208 InChI Key: LLEMOWNGBBNAJR-UHFFFAOYSA-N Synonym: 2-hydroxybiphenyl,o-phenylphenol,biphenyl-2-ol,2-biphenylol,o-hydroxybiphenyl,2-hydroxydiphenyl,o-hydroxydiphenyl,phenylphenol,biphenylol,1,1'-biphenyl-2-ol PubChem CID: 7017 ChEBI: CHEBI:17043 SMILES: OC1=CC=CC=C1C1=CC=CC=C1
Phenylurea, 97%
CAS: 64-10-8 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.15 MDL Number: MFCD00007944 InChI Key: LUBJCRLGQSPQNN-UHFFFAOYSA-N Synonym: 1-phenylurea,n-phenylurea,urea, phenyl,phenylcarbamide,monophenylurea,stabilizer vh,stabilisator vh,phenyl-urea,urea, n-phenyl,phenyl urea PubChem CID: 6145 IUPAC Name: phenylurea SMILES: C1=CC=C(C=C1)NC(=O)N
1,4-Dibromobenzene, 99%
CAS: 106-37-6 Molecular Formula: C6H4Br2 Molecular Weight (g/mol): 235.91 MDL Number: MFCD00000089 InChI Key: SWJPEBQEEAHIGZ-UHFFFAOYSA-N Synonym: p-dibromobenzene,p-bromophenyl bromide,benzene, 1,4-dibromo,benzene, p-dibromo,p-benzene dibromide,1,4-dibromo benzene,1,4-dibromo-benzene,unii-9991w3m5hz,dibromobenzene, 1,4,labotest-bb ltbb002071 PubChem CID: 7804 ChEBI: CHEBI:37150 IUPAC Name: 1,4-dibromobenzene SMILES: BrC1=CC=C(Br)C=C1
1,3-Difluorobenzene, 99+%
CAS: 372-18-9 Molecular Formula: C6H4F2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00000327 InChI Key: UEMGWPRHOOEKTA-UHFFFAOYSA-N Synonym: m-difluorobenzene,benzene, 1,3-difluoro,benzene, m-difluoro,2,4-difluorobenzene,meta-difluorobenzene,1,3-difluoro benzene,unii-vo3c26woc2,1,3-difluorbenzol,vo3c26woc2,1,3difluorobenzene PubChem CID: 9741 ChEBI: CHEBI:38584 IUPAC Name: 1,3-difluorobenzene SMILES: FC1=CC(F)=CC=C1
(3,4-Dimethoxyphenyl)acetic acid, 99%
CAS: 93-40-3 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.2 MDL Number: MFCD00004335 InChI Key: WUAXWQRULBZETB-UHFFFAOYSA-N Synonym: homoveratric acid,3,4-dimethoxyphenylacetic acid,3,4-dimethoxyphenyl acetic acid,2-3,4-dimethoxyphenyl acetic acid,benzeneacetic acid, 3,4-dimethoxy,3,4-dimethoxybenzeneacetic acid,3,4-dimethoxy-phenyl-acetic acid,acetic acid, 3,4-dimethoxyphenyl PubChem CID: 7139 ChEBI: CHEBI:86655 IUPAC Name: 2-(3,4-dimethoxyphenyl)acetic acid SMILES: COC1=C(C=C(C=C1)CC(=O)O)OC
3-Phenyl-1-propylamine, 98%
CAS: 2038-57-5 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008224 InChI Key: LYUQWQRTDLVQGA-UHFFFAOYSA-N Synonym: 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine PubChem CID: 16259 IUPAC Name: 3-phenylpropan-1-amine SMILES: NCCCC1=CC=CC=C1
2-Fluorobenzyl bromide, 98%
CAS: 446-48-0 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.03 MDL Number: MFCD00000324 InChI Key: FFWQLZFIMNTUCZ-UHFFFAOYSA-N Synonym: 2-fluorobenzyl bromide,1-bromomethyl-2-fluorobenzene,2-fluorobenzylbromide,o-fluorobenzyl bromide,alpha-bromo-o-fluorotoluene,alpha-bromo-2-fluorotoluene,2-fluoro-benzyl bromide,1-bromomethyl-2-fluoro-benzene,benzene, 1-bromomethyl-2-fluoro,2-fluoro-benzylbromide PubChem CID: 67968 IUPAC Name: 1-(bromomethyl)-2-fluorobenzene SMILES: C1=CC=C(C(=C1)CBr)F
2,5-Di-tert-butylhydroquinone, 99%
CAS: 88-58-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00008825 InChI Key: JZODKRWQWUWGCD-UHFFFAOYSA-N Synonym: 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone PubChem CID: 2374 ChEBI: CHEBI:41094 IUPAC Name: 2,5-ditert-butylbenzene-1,4-diol SMILES: CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C
m-Anisic acid, 98%
CAS: 586-38-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002499 InChI Key: XHQZJYCNDZAGLW-UHFFFAOYSA-N Synonym: m-anisic acid,m-methoxybenzoic acid,benzoic acid, 3-methoxy,3-anisic acid,meta-anisic acid,3-methoxy-benzoic acid,unii-e2i36fh6qz,m-methylsalicylic acid,e2i36fh6qz,chembl22425 PubChem CID: 11461 IUPAC Name: 3-methoxybenzoic acid SMILES: COC1=CC=CC(=C1)C(=O)O
5,6,7,8-Tetrahydro-2-naphthol, 98%
CAS: 1125-78-6 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00001738 InChI Key: UMKXSOXZAXIOPJ-UHFFFAOYSA-N Synonym: 5,6,7,8-tetrahydro-2-naphthol,6-tetralinol,6-hydroxytetralin,2-naphthalenol, 5,6,7,8-tetrahydro,5,6,7,8-tetrahydro-beta-naphthol,ac-beta-tetralol,5,6,7,8-tetrahydro-2-hydroxynaphthalene,2-naphthol, 5,6,7,8-tetrahydro,unii-tmr02i7n8s,5,6,7,8-tetrahydro-2-naphthalenol PubChem CID: 14305 ChEBI: CHEBI:34448 IUPAC Name: 5,6,7,8-tetrahydronaphthalen-2-ol SMILES: C1CCC2=C(C1)C=CC(=C2)O
Tosylmethyl isocyanide, 98%
CAS: 36635-61-7 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.24 MDL Number: MFCD00000005 InChI Key: CFOAUYCPAUGDFF-UHFFFAOYSA-N Synonym: tosylmethyl isocyanide,tosmic,p-toluenesulfonylmethyl isocyanide,4-toluenesulphonylmethyl isocyanide,4-toluenesulfonylmethyl isocyanide,tosylmethylisocyanide,1-isocyanomethylsulfonyl-4-methylbenzene,p-tolylsulfonyl methyl isocyanide,unii-c35fd6olh8,1-isocyanomethyl sulfonyl-4-methylbenzene PubChem CID: 161915 IUPAC Name: 1-(isocyanomethylsulfonyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]
1,3-Dibromobenzene, 97%
CAS: 108-36-1 Molecular Formula: C6H4Br2 Molecular Weight (g/mol): 235.91 MDL Number: MFCD00000078 InChI Key: JSRLURSZEMLAFO-UHFFFAOYSA-N Synonym: m-dibromobenzene,benzene, 1,3-dibromo,benzene, m-dibromo,unii-74ef6kh8tc,1,3-dibromo-benzene,74ef6kh8tc,1,3-dibromo benzene,3,5-dibromobenzene,1,3-dibrormobenzene,1, 3-dibromobenzene PubChem CID: 7927 ChEBI: CHEBI:37151 IUPAC Name: 1,3-dibromobenzene SMILES: BrC1=CC(Br)=CC=C1
4-Iodoaniline, 99%
CAS: 540-37-4 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.02 InChI Key: VLVCDUSVTXIWGW-UHFFFAOYSA-N Synonym: p-iodoaniline,benzenamine, 4-iodo,4-iodobenzenamine,aniline, p-iodo,p-aminophenyl iodide,aniline, 4-iodo,4-iodo-aniline,4-iodophenylamine,4-iodo-benzenamine,4-iodo-phenylamine PubChem CID: 10893 IUPAC Name: 4-iodoaniline SMILES: C1=CC(=CC=C1N)I
4-Nitrophenol, 99%
CAS: 100-02-7 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00007331 InChI Key: BTJIUGUIPKRLHP-UHFFFAOYSA-N Synonym: p-nitrophenol,phenol, 4-nitro,paranitrophenol,niphen,4-hydroxynitrobenzene,p-hydroxynitrobenzene,phenol, p-nitro,mononitrophenol,paranitrofenol,paranitrofenolo PubChem CID: 980 ChEBI: CHEBI:16836 IUPAC Name: 4-nitrophenol SMILES: OC1=CC=C(C=C1)[N+]([O-])=O