Benzene and substituted derivatives
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2,6-Dichlorobenzoic acid, 97%
CAS: 50-30-6 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002418 InChI Key: MRUDNSFOFOQZDA-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dichloro,2,6-dichloro-benzoic acid,unii-634ri764qt,2,6 dichlorobenzoic acid,2,6-dichlorobenzoicacid,2,6-dichloro-benzoicacid,ccris 8610,pubchem20028,acmc-1auop,2.6-dichlorobenzoic acid PubChem CID: 5758 ChEBI: CHEBI:48623 IUPAC Name: 2,6-dichlorobenzoic acid SMILES: OC(=O)C1=C(Cl)C=CC=C1Cl
| PubChem CID | 5758 |
|---|---|
| CAS | 50-30-6 |
| Molecular Weight (g/mol) | 191.01 |
| ChEBI | CHEBI:48623 |
| MDL Number | MFCD00002418 |
| SMILES | OC(=O)C1=C(Cl)C=CC=C1Cl |
| Synonym | benzoic acid, 2,6-dichloro,2,6-dichloro-benzoic acid,unii-634ri764qt,2,6 dichlorobenzoic acid,2,6-dichlorobenzoicacid,2,6-dichloro-benzoicacid,ccris 8610,pubchem20028,acmc-1auop,2.6-dichlorobenzoic acid |
| IUPAC Name | 2,6-dichlorobenzoic acid |
| InChI Key | MRUDNSFOFOQZDA-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O2 |
4-Iodobenzoic acid, 97%
CAS: 619-58-9 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.02 MDL Number: MFCD00002533 InChI Key: GHICCUXQJBDNRN-UHFFFAOYSA-N Synonym: p-iodobenzoic acid,benzoic acid, 4-iodo,benzoic acid, p-iodo,4-iodo-benzoic acid,p-iodobenzenecarboxylic acid,4-jodbenzoesaeure,unii-ipo4lyq1en,4-jodbenzoesaeure german,4-iodo benzoic acid,ipo4lyq1en PubChem CID: 12085 IUPAC Name: 4-iodobenzoic acid SMILES: OC(=O)C1=CC=C(I)C=C1
| PubChem CID | 12085 |
|---|---|
| CAS | 619-58-9 |
| Molecular Weight (g/mol) | 248.02 |
| MDL Number | MFCD00002533 |
| SMILES | OC(=O)C1=CC=C(I)C=C1 |
| Synonym | p-iodobenzoic acid,benzoic acid, 4-iodo,benzoic acid, p-iodo,4-iodo-benzoic acid,p-iodobenzenecarboxylic acid,4-jodbenzoesaeure,unii-ipo4lyq1en,4-jodbenzoesaeure german,4-iodo benzoic acid,ipo4lyq1en |
| IUPAC Name | 4-iodobenzoic acid |
| InChI Key | GHICCUXQJBDNRN-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO2 |
2-Chloro-4-iodoaniline, 98%
CAS: 42016-93-3 Molecular Formula: C6H5ClIN Molecular Weight (g/mol): 253.47 MDL Number: MFCD00025298 InChI Key: MYDAOWXYGPEPJT-UHFFFAOYSA-N Synonym: 2-chloro-4-iodo-phenylamine,benzenamine, 2-chloro-4-iodo,2-chloro-4-iodo-aniline,ccris 9438,zlchem 542,pubchem3811,2-chloro-4-iodoanilline,2-chloro-4-iodo aniline,acmc-1am5p,2-chloro-4-iodophenylamine PubChem CID: 282930 IUPAC Name: 2-chloro-4-iodoaniline SMILES: NC1=CC=C(I)C=C1Cl
| PubChem CID | 282930 |
|---|---|
| CAS | 42016-93-3 |
| Molecular Weight (g/mol) | 253.47 |
| MDL Number | MFCD00025298 |
| SMILES | NC1=CC=C(I)C=C1Cl |
| Synonym | 2-chloro-4-iodo-phenylamine,benzenamine, 2-chloro-4-iodo,2-chloro-4-iodo-aniline,ccris 9438,zlchem 542,pubchem3811,2-chloro-4-iodoanilline,2-chloro-4-iodo aniline,acmc-1am5p,2-chloro-4-iodophenylamine |
| IUPAC Name | 2-chloro-4-iodoaniline |
| InChI Key | MYDAOWXYGPEPJT-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClIN |
3-Methylbenzyl chloride, 98%
CAS: 620-19-9 Molecular Formula: C8H9Cl Molecular Weight (g/mol): 140.61 MDL Number: MFCD00000909 InChI Key: LZBOHNCMCCSTJX-UHFFFAOYSA-N Synonym: 3-methylbenzyl chloride,1-chloromethyl-3-methylbenzene,m-xylyl chloride,3-methylbenzylchloride,alpha-chloro-m-xylene,m-methylbenzyl chloride,1-chloromethyl-3-methyl-benzene,m-chloromethyl toluene,3-chloromethyl toluene,benzene, 1-chloromethyl-3-methyl PubChem CID: 12102 IUPAC Name: 1-(chloromethyl)-3-methylbenzene SMILES: CC1=CC(=CC=C1)CCl
| PubChem CID | 12102 |
|---|---|
| CAS | 620-19-9 |
| Molecular Weight (g/mol) | 140.61 |
| MDL Number | MFCD00000909 |
| SMILES | CC1=CC(=CC=C1)CCl |
| Synonym | 3-methylbenzyl chloride,1-chloromethyl-3-methylbenzene,m-xylyl chloride,3-methylbenzylchloride,alpha-chloro-m-xylene,m-methylbenzyl chloride,1-chloromethyl-3-methyl-benzene,m-chloromethyl toluene,3-chloromethyl toluene,benzene, 1-chloromethyl-3-methyl |
| IUPAC Name | 1-(chloromethyl)-3-methylbenzene |
| InChI Key | LZBOHNCMCCSTJX-UHFFFAOYSA-N |
| Molecular Formula | C8H9Cl |
2,4-Difluoro-1-iodobenzene, 99%
CAS: 2265-93-2 Molecular Formula: C6H3F2I Molecular Weight (g/mol): 239.99 MDL Number: MFCD00040151 InChI Key: YKLDMAPEGQYZRT-UHFFFAOYSA-N Synonym: 2,4-difluoroiodobenzene,1,3-difluoro-4-iodobenzene,2,4-difluoro-1-iodobenze,benzene, 2,4-difluoro-1-iodo,2,4-difluoro iodobenzene,2,4-difluoro-1-iodo-benzene,pubchem3463,2,4-difluoro-iodobenzene,acmc-1cq0v,intermediates-zcf02607 PubChem CID: 137519 IUPAC Name: 2,4-difluoro-1-iodobenzene SMILES: FC1=CC=C(I)C(F)=C1
| PubChem CID | 137519 |
|---|---|
| CAS | 2265-93-2 |
| Molecular Weight (g/mol) | 239.99 |
| MDL Number | MFCD00040151 |
| SMILES | FC1=CC=C(I)C(F)=C1 |
| Synonym | 2,4-difluoroiodobenzene,1,3-difluoro-4-iodobenzene,2,4-difluoro-1-iodobenze,benzene, 2,4-difluoro-1-iodo,2,4-difluoro iodobenzene,2,4-difluoro-1-iodo-benzene,pubchem3463,2,4-difluoro-iodobenzene,acmc-1cq0v,intermediates-zcf02607 |
| IUPAC Name | 2,4-difluoro-1-iodobenzene |
| InChI Key | YKLDMAPEGQYZRT-UHFFFAOYSA-N |
| Molecular Formula | C6H3F2I |
2-Amino-6-chlorobenzoic acid, 97+%
CAS: 2148-56-3 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00051530 InChI Key: SZCPTRGBOVXVCA-UHFFFAOYSA-N Synonym: 6-chloroanthranilic acid,benzoic acid, 2-amino-6-chloro,2-amino-6-chloro-benzoic acid,6-chloranthranilsaure,pubchem9876,acmc-1cngq,6-chloro anthranilic acid,2-carboxy-3-chloroaniline,2amino-6-chlorobenzoic acid,ksc201s6b PubChem CID: 75071 IUPAC Name: 2-amino-6-chlorobenzoic acid SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)N
| PubChem CID | 75071 |
|---|---|
| CAS | 2148-56-3 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00051530 |
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)O)N |
| Synonym | 6-chloroanthranilic acid,benzoic acid, 2-amino-6-chloro,2-amino-6-chloro-benzoic acid,6-chloranthranilsaure,pubchem9876,acmc-1cngq,6-chloro anthranilic acid,2-carboxy-3-chloroaniline,2amino-6-chlorobenzoic acid,ksc201s6b |
| IUPAC Name | 2-amino-6-chlorobenzoic acid |
| InChI Key | SZCPTRGBOVXVCA-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
Benzenesulfonamide, 98+%
CAS: 98-10-2 Molecular Formula: C6H7NO2S Molecular Weight (g/mol): 157.187 MDL Number: MFCD00007930 InChI Key: KHBQMWCZKVMBLN-UHFFFAOYSA-N Synonym: benzenesulphonamide,benzosulfonamide,benzolsulfonamide,phenyl sulfonamide,benzene sulfonamide,phenylsulfonamide,m and b 7973,chembl27601,benzolsulfonamid,benzensulfonamide PubChem CID: 7370 IUPAC Name: benzenesulfonamide SMILES: C1=CC=C(C=C1)S(=O)(=O)N
| PubChem CID | 7370 |
|---|---|
| CAS | 98-10-2 |
| Molecular Weight (g/mol) | 157.187 |
| MDL Number | MFCD00007930 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N |
| Synonym | benzenesulphonamide,benzosulfonamide,benzolsulfonamide,phenyl sulfonamide,benzene sulfonamide,phenylsulfonamide,m and b 7973,chembl27601,benzolsulfonamid,benzensulfonamide |
| IUPAC Name | benzenesulfonamide |
| InChI Key | KHBQMWCZKVMBLN-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2S |
Methyl 2,5-dihydroxybenzoate, 98%
CAS: 2150-46-1 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00016464 InChI Key: XGDPKUKRQHHZTH-UHFFFAOYSA-N Synonym: methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 PubChem CID: 75077 IUPAC Name: methyl 2,5-dihydroxybenzoate SMILES: COC(=O)C1=CC(O)=CC=C1O
| PubChem CID | 75077 |
|---|---|
| CAS | 2150-46-1 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00016464 |
| SMILES | COC(=O)C1=CC(O)=CC=C1O |
| Synonym | methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 |
| IUPAC Name | methyl 2,5-dihydroxybenzoate |
| InChI Key | XGDPKUKRQHHZTH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
3,5-Bis(trifluoromethyl)phenol, 97%
CAS: 349-58-6 Molecular Formula: C8H4F6O Molecular Weight (g/mol): 230.109 MDL Number: MFCD00000386 InChI Key: ODSXJQYJADZFJX-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenol,phenol, 3,5-bis trifluoromethyl,3,5-di trifluoromethyl phenol,3,5-bis-trifluoromethylphenol,3,5-ditrifluoromethylphenol,3,5-bis-trifluoromethyl phenol,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylenol,pubchem12483,mbt-oh,acmc-1clsr PubChem CID: 67680 IUPAC Name: 3,5-bis(trifluoromethyl)phenol SMILES: C1=C(C=C(C=C1C(F)(F)F)O)C(F)(F)F
| PubChem CID | 67680 |
|---|---|
| CAS | 349-58-6 |
| Molecular Weight (g/mol) | 230.109 |
| MDL Number | MFCD00000386 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)O)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl phenol,phenol, 3,5-bis trifluoromethyl,3,5-di trifluoromethyl phenol,3,5-bis-trifluoromethylphenol,3,5-ditrifluoromethylphenol,3,5-bis-trifluoromethyl phenol,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylenol,pubchem12483,mbt-oh,acmc-1clsr |
| IUPAC Name | 3,5-bis(trifluoromethyl)phenol |
| InChI Key | ODSXJQYJADZFJX-UHFFFAOYSA-N |
| Molecular Formula | C8H4F6O |
4-Bromo-1,2-dichlorobenzene, 98+%
CAS: 18282-59-2 Molecular Formula: C6H3BrCl2 Molecular Weight (g/mol): 225.89 MDL Number: MFCD00040849 InChI Key: CFPZDVAZISWERM-UHFFFAOYSA-N Synonym: 1-bromo-3,4-dichlorobenzene,3,4-dichlorobromobenzene,benzene, 4-bromo-1,2-dichloro,3,4-dichlorophenyl bromide,3,4-dichloro-1-bromobenzene,4-bromo-1,2-dichloro-benzene,5-bromdichlorbenzol,pubchem3611,acmc-1btol,3,4-dichloro-bromobenzene PubChem CID: 29013 IUPAC Name: 4-bromo-1,2-dichlorobenzene SMILES: ClC1=CC=C(Br)C=C1Cl
| PubChem CID | 29013 |
|---|---|
| CAS | 18282-59-2 |
| Molecular Weight (g/mol) | 225.89 |
| MDL Number | MFCD00040849 |
| SMILES | ClC1=CC=C(Br)C=C1Cl |
| Synonym | 1-bromo-3,4-dichlorobenzene,3,4-dichlorobromobenzene,benzene, 4-bromo-1,2-dichloro,3,4-dichlorophenyl bromide,3,4-dichloro-1-bromobenzene,4-bromo-1,2-dichloro-benzene,5-bromdichlorbenzol,pubchem3611,acmc-1btol,3,4-dichloro-bromobenzene |
| IUPAC Name | 4-bromo-1,2-dichlorobenzene |
| InChI Key | CFPZDVAZISWERM-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrCl2 |
4-Ethoxybenzyl alcohol, 98%
CAS: 6214-44-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00004655 InChI Key: UKFLLQIRBABMKF-UHFFFAOYSA-N Synonym: 4-ethoxybenzyl alcohol,4-ethoxyphenyl methanol,p-ethoxybenzyl alcohol,4-ethoxybenzylalcohol,benzenemethanol, 4-ethoxy,4-ethoxy-benzyl alcohol,benzenemethanol,4-ethoxy,4-ethoxyphenyl methanol #,4-ethoxyphenyl methan-1-ol,4-ethyloxy phenyl methanol PubChem CID: 80345 IUPAC Name: (4-ethoxyphenyl)methanol SMILES: CCOC1=CC=C(CO)C=C1
| PubChem CID | 80345 |
|---|---|
| CAS | 6214-44-4 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00004655 |
| SMILES | CCOC1=CC=C(CO)C=C1 |
| Synonym | 4-ethoxybenzyl alcohol,4-ethoxyphenyl methanol,p-ethoxybenzyl alcohol,4-ethoxybenzylalcohol,benzenemethanol, 4-ethoxy,4-ethoxy-benzyl alcohol,benzenemethanol,4-ethoxy,4-ethoxyphenyl methanol #,4-ethoxyphenyl methan-1-ol,4-ethyloxy phenyl methanol |
| IUPAC Name | (4-ethoxyphenyl)methanol |
| InChI Key | UKFLLQIRBABMKF-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
| CAS | 3724-10-5 |
|---|---|
| MDL Number | MFCD00029934 |
4-Cyanobenzyl alcohol, 97%
CAS: 874-89-5 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00870633 InChI Key: XAASLEJRGFPHEV-UHFFFAOYSA-N Synonym: 4-hydroxymethyl benzonitrile,4-cyanobenzyl alcohol,p-cyanobenzyl alcohol,ccris 5116,benzonitrile, 4-hydroxymethyl,4-cyanobenzenemethanol,4-cyanophenyl methanol,4-hydroxymethyl-benzonitrile,4 hydroxymethyl-benzonitrile PubChem CID: 160549 IUPAC Name: 4-(hydroxymethyl)benzonitrile SMILES: OCC1=CC=C(C=C1)C#N
| PubChem CID | 160549 |
|---|---|
| CAS | 874-89-5 |
| Molecular Weight (g/mol) | 133.15 |
| MDL Number | MFCD00870633 |
| SMILES | OCC1=CC=C(C=C1)C#N |
| Synonym | 4-hydroxymethyl benzonitrile,4-cyanobenzyl alcohol,p-cyanobenzyl alcohol,ccris 5116,benzonitrile, 4-hydroxymethyl,4-cyanobenzenemethanol,4-cyanophenyl methanol,4-hydroxymethyl-benzonitrile,4 hydroxymethyl-benzonitrile |
| IUPAC Name | 4-(hydroxymethyl)benzonitrile |
| InChI Key | XAASLEJRGFPHEV-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO |
4-tert-Butylphenylmagnesium bromide, 0.50 M in 2-MeTHF
CAS: 63488-10-8 Molecular Formula: C10H13BrMg Molecular Weight (g/mol): 237.42 MDL Number: MFCD00013244 InChI Key: YECFWFOEQLAVNH-UHFFFAOYSA-M Synonym: 4-tert-butylphenylmagnesium bromide,4-t-butylphenylmagnesium bromide,bromo 4-tert-butylphenyl magnesium,magnesium, bromo 4-1,1-dimethylethyl phenyl,4-tert-butylphenylmagnesium bromide solution,yecfwfoeqlavnh-uhfffaoysa-m,4-tert-butylphenyhnagnesium bromide,4-tert.-butylphenylmagnesium bromide,4-tert-butylphenyl magnesium bromide,4-tert butyl phenyl magnesium bromide,grignard reagent PubChem CID: 4608371 IUPAC Name: magnesium;tert-butylbenzene;bromide SMILES: CC(C)(C)C1=CC=C([Mg]Br)C=C1
| PubChem CID | 4608371 |
|---|---|
| CAS | 63488-10-8 |
| Molecular Weight (g/mol) | 237.42 |
| MDL Number | MFCD00013244 |
| SMILES | CC(C)(C)C1=CC=C([Mg]Br)C=C1 |
| Synonym | 4-tert-butylphenylmagnesium bromide,4-t-butylphenylmagnesium bromide,bromo 4-tert-butylphenyl magnesium,magnesium, bromo 4-1,1-dimethylethyl phenyl,4-tert-butylphenylmagnesium bromide solution,yecfwfoeqlavnh-uhfffaoysa-m,4-tert-butylphenyhnagnesium bromide,4-tert.-butylphenylmagnesium bromide,4-tert-butylphenyl magnesium bromide,4-tert butyl phenyl magnesium bromide,grignard reagent |
| IUPAC Name | magnesium;tert-butylbenzene;bromide |
| InChI Key | YECFWFOEQLAVNH-UHFFFAOYSA-M |
| Molecular Formula | C10H13BrMg |
3-Phenylsulfonamidopyridine-5-boronic acid pinacol ester, 96%, Thermo Scientific Chemicals
CAS: 1083326-28-6 Molecular Formula: C17H21BN2O4S Molecular Weight (g/mol): 360.235 MDL Number: MFCD13190589 InChI Key: UXJVHVXONVGHIL-UHFFFAOYSA-N Synonym: n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide,3-phenylsulfonamidopyridine-5-boronic acid pinacol ester,n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-3-pyridinyl benzenesulfonamide,n-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide,n-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide PubChem CID: 52936632 IUPAC Name: N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)NS(=O)(=O)C3=CC=CC=C3
| PubChem CID | 52936632 |
|---|---|
| CAS | 1083326-28-6 |
| Molecular Weight (g/mol) | 360.235 |
| MDL Number | MFCD13190589 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)NS(=O)(=O)C3=CC=CC=C3 |
| Synonym | n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide,3-phenylsulfonamidopyridine-5-boronic acid pinacol ester,n-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-3-pyridinyl benzenesulfonamide,n-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide,n-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl pyridin-3-yl benzenesulfonamide |
| IUPAC Name | N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide |
| InChI Key | UXJVHVXONVGHIL-UHFFFAOYSA-N |
| Molecular Formula | C17H21BN2O4S |