Benzene and substituted derivatives
Filtered Search Results
| PubChem CID | 2734706 |
|---|---|
| CAS | 59016-93-2 |
| Molecular Weight (g/mol) | 151.956 |
| MDL Number | MFCD00792672 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=C(C=C1)CO)(O)O |
| Synonym | 4-hydroxymethyl phenylboronic acid,4-hydroxymethyl benzeneboronic acid,4-hydroxymethyl phenyl boronic acid,4-hydroxymethylphenyl boronic acid,4-hydroxymethylphenylboronic acid |
| TSCA | No |
| IUPAC Name | [4-(hydroxymethyl)phenyl]boronic acid |
| InChI Key | PZRPBPMLSSNFOM-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |
| Formula Weight | 151.96 |
1-Phenyl-3-thiosemicarbazide 98.0+%, TCI America™
CAS: 645-48-7 Molecular Formula: C7H9N3S Molecular Weight (g/mol): 167.23 MDL Number: MFCD00042739 InChI Key: JDXKTOBMLZLCSB-UHFFFAOYSA-N PubChem CID: 2781094 IUPAC Name: anilinothiourea SMILES: C1=CC=C(C=C1)NNC(=S)N
| PubChem CID | 2781094 |
|---|---|
| CAS | 645-48-7 |
| Molecular Weight (g/mol) | 167.23 |
| MDL Number | MFCD00042739 |
| SMILES | C1=CC=C(C=C1)NNC(=S)N |
| IUPAC Name | anilinothiourea |
| InChI Key | JDXKTOBMLZLCSB-UHFFFAOYSA-N |
| Molecular Formula | C7H9N3S |
2,4,6-Tribromoanisole 98.0+%, TCI America™
CAS: 607-99-8 Molecular Formula: C7H5Br3O Molecular Weight (g/mol): 344.83 MDL Number: MFCD00192510 InChI Key: YXTRCOAFNXQTKL-UHFFFAOYSA-N Synonym: 2,4,6-tribromoanisole,anisole, 2,4,6-tribromo,benzene, 1,3,5-tribromo-2-methoxy,unii-do7m3m4lx5,1,3,5-tribromo-2-methoxy-benzene,methyl 2,4,6-tribromophenyl ether,do7m3m4lx5,2,6-tribromoanisole,anisole,4,6-tribromo,acmc-209mm5 PubChem CID: 11839 IUPAC Name: 1,3,5-tribromo-2-methoxybenzene SMILES: COC1=C(Br)C=C(Br)C=C1Br
| PubChem CID | 11839 |
|---|---|
| CAS | 607-99-8 |
| Molecular Weight (g/mol) | 344.83 |
| MDL Number | MFCD00192510 |
| SMILES | COC1=C(Br)C=C(Br)C=C1Br |
| Synonym | 2,4,6-tribromoanisole,anisole, 2,4,6-tribromo,benzene, 1,3,5-tribromo-2-methoxy,unii-do7m3m4lx5,1,3,5-tribromo-2-methoxy-benzene,methyl 2,4,6-tribromophenyl ether,do7m3m4lx5,2,6-tribromoanisole,anisole,4,6-tribromo,acmc-209mm5 |
| IUPAC Name | 1,3,5-tribromo-2-methoxybenzene |
| InChI Key | YXTRCOAFNXQTKL-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br3O |
3-Methyl-4-nitrobenzoic Acid 98.0+%, TCI America™
CAS: 3113-71-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007168 InChI Key: XDTTUTIFWDAMIX-UHFFFAOYSA-N PubChem CID: 18370 SMILES: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 18370 |
|---|---|
| CAS | 3113-71-1 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007168 |
| SMILES | CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] |
| InChI Key | XDTTUTIFWDAMIX-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
4-(4-Hydroxyphenyl)cyclohexanone 95.0+%, TCI America™
CAS: 105640-07-1 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00210693 InChI Key: SLJYPZJZQIHNGU-UHFFFAOYSA-N Synonym: 4-4-hydroxyphenyl cyclohexanone,4-4-hydroxyphenyl cyclohexan-1-one,4-4-hydroxyphenyl-cyclohexanone,cyclohexanone, 4-4-hydroxyphenyl,4-4-hydroxyphenyl-1-cyclohexanone,acmc-1cukv,4-4-oxocyclohexyl phenol,ksc495c5l,4-4'-hydroxyphenyl-cyclohexanone PubChem CID: 4598916 IUPAC Name: 4-(4-hydroxyphenyl)cyclohexan-1-one SMILES: OC1=CC=C(C=C1)C1CCC(=O)CC1
| PubChem CID | 4598916 |
|---|---|
| CAS | 105640-07-1 |
| Molecular Weight (g/mol) | 190.24 |
| MDL Number | MFCD00210693 |
| SMILES | OC1=CC=C(C=C1)C1CCC(=O)CC1 |
| Synonym | 4-4-hydroxyphenyl cyclohexanone,4-4-hydroxyphenyl cyclohexan-1-one,4-4-hydroxyphenyl-cyclohexanone,cyclohexanone, 4-4-hydroxyphenyl,4-4-hydroxyphenyl-1-cyclohexanone,acmc-1cukv,4-4-oxocyclohexyl phenol,ksc495c5l,4-4'-hydroxyphenyl-cyclohexanone |
| IUPAC Name | 4-(4-hydroxyphenyl)cyclohexan-1-one |
| InChI Key | SLJYPZJZQIHNGU-UHFFFAOYSA-N |
| Molecular Formula | C12H14O2 |
4-Methoxydiphenylamine 98.0+%, TCI America™
CAS: 1208-86-2 Molecular Formula: C13H13NO Molecular Weight (g/mol): 199.25 MDL Number: MFCD00228649 InChI Key: OBHGSIGHEBGGFS-UHFFFAOYSA-N PubChem CID: 14581 IUPAC Name: 4-methoxy-N-phenylaniline SMILES: COC1=CC=C(NC2=CC=CC=C2)C=C1
| PubChem CID | 14581 |
|---|---|
| CAS | 1208-86-2 |
| Molecular Weight (g/mol) | 199.25 |
| MDL Number | MFCD00228649 |
| SMILES | COC1=CC=C(NC2=CC=CC=C2)C=C1 |
| IUPAC Name | 4-methoxy-N-phenylaniline |
| InChI Key | OBHGSIGHEBGGFS-UHFFFAOYSA-N |
| Molecular Formula | C13H13NO |
N-Benzyl-N-nitroso-p-toluenesulfonamide 98.0+%, TCI America™
CAS: 33528-13-1 Molecular Formula: C14H14N2O3S Molecular Weight (g/mol): 290.337 MDL Number: MFCD00216617 InChI Key: ZXELPGWSCCGNDS-UHFFFAOYSA-N PubChem CID: 4118076 IUPAC Name: N-benzyl-4-methyl-N-nitrosobenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)N=O
| PubChem CID | 4118076 |
|---|---|
| CAS | 33528-13-1 |
| Molecular Weight (g/mol) | 290.337 |
| MDL Number | MFCD00216617 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)N=O |
| IUPAC Name | N-benzyl-4-methyl-N-nitrosobenzenesulfonamide |
| InChI Key | ZXELPGWSCCGNDS-UHFFFAOYSA-N |
| Molecular Formula | C14H14N2O3S |
Bis(pentafluorophenyl)phenylphosphine 98.0+%, TCI America™
CAS: 5074-71-5 Molecular Formula: C18H5F10P Molecular Weight (g/mol): 442.20 MDL Number: MFCD00000291 InChI Key: OYNXPGGNQMSMTR-UHFFFAOYSA-N Synonym: bis pentafluorophenyl phenylphosphine,dftpp,decafluorotriphenylphosphine,bis perfluorophenyl phenyl phosphine,bis 2,3,4,5,6-pentafluorophenyl-phenylphosphane,phosphine,bis 2,3,4,5,6-pentafluorophenyl phenyl,bis 2,3,4,5,6-pentafluorophenyl phenyl phosphane,ultramark 443,bis pentafluorophenyl phenyl phosphite,bis pentafluorophenyl phenyl phosphine PubChem CID: 78757 IUPAC Name: bis(2,3,4,5,6-pentafluorophenyl)(phenyl)phosphane SMILES: FC1=C(F)C(F)=C(P(C2=CC=CC=C2)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F
| PubChem CID | 78757 |
|---|---|
| CAS | 5074-71-5 |
| Molecular Weight (g/mol) | 442.20 |
| MDL Number | MFCD00000291 |
| SMILES | FC1=C(F)C(F)=C(P(C2=CC=CC=C2)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F |
| Synonym | bis pentafluorophenyl phenylphosphine,dftpp,decafluorotriphenylphosphine,bis perfluorophenyl phenyl phosphine,bis 2,3,4,5,6-pentafluorophenyl-phenylphosphane,phosphine,bis 2,3,4,5,6-pentafluorophenyl phenyl,bis 2,3,4,5,6-pentafluorophenyl phenyl phosphane,ultramark 443,bis pentafluorophenyl phenyl phosphite,bis pentafluorophenyl phenyl phosphine |
| IUPAC Name | bis(2,3,4,5,6-pentafluorophenyl)(phenyl)phosphane |
| InChI Key | OYNXPGGNQMSMTR-UHFFFAOYSA-N |
| Molecular Formula | C18H5F10P |
2-(Trimethylsilyl)ethoxymethyltriphenylphosphonium Chloride 98.0+%, TCI America™
CAS: 82495-75-8 Molecular Formula: C24H30ClOPSi Molecular Weight (g/mol): 429.012 MDL Number: MFCD00043159 InChI Key: NEUMNYXEDIPGJD-UHFFFAOYSA-M Synonym: 2-trimethylsilyl ethoxymethyltriphenylphosphonium chloride,sem-triphenylphosphonium chloride,2-trimethylsilyl ethoxymethyl triphenylphosphonium chloride,phosphonium, triphenyl 2-trimethylsilyl ethoxy methyl-, chloride,acmc-209pp9,2-trimethylsilyl ethoxymethyltriphenylphosphoniumchloride,2-trimethylsilyl ethoxymethyl-triphenylphosphonium chloride,2-trimethylsilyl-ethoxymethyl triphenylphosphonium chloride,triphenyl-2-trimethylsilanyl-ethoxymethyl phosphonium chloride PubChem CID: 11396265 IUPAC Name: triphenyl(2-trimethylsilylethoxymethyl)phosphanium;chloride SMILES: C[Si](C)(C)CCOC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
| PubChem CID | 11396265 |
|---|---|
| CAS | 82495-75-8 |
| Molecular Weight (g/mol) | 429.012 |
| MDL Number | MFCD00043159 |
| SMILES | C[Si](C)(C)CCOC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| Synonym | 2-trimethylsilyl ethoxymethyltriphenylphosphonium chloride,sem-triphenylphosphonium chloride,2-trimethylsilyl ethoxymethyl triphenylphosphonium chloride,phosphonium, triphenyl 2-trimethylsilyl ethoxy methyl-, chloride,acmc-209pp9,2-trimethylsilyl ethoxymethyltriphenylphosphoniumchloride,2-trimethylsilyl ethoxymethyl-triphenylphosphonium chloride,2-trimethylsilyl-ethoxymethyl triphenylphosphonium chloride,triphenyl-2-trimethylsilanyl-ethoxymethyl phosphonium chloride |
| IUPAC Name | triphenyl(2-trimethylsilylethoxymethyl)phosphanium;chloride |
| InChI Key | NEUMNYXEDIPGJD-UHFFFAOYSA-M |
| Molecular Formula | C24H30ClOPSi |
N-Sulfinyl-p-toluenesulfonamide 70.0+%, TCI America™
CAS: 4104-47-6 Molecular Formula: C7H7NO3S2 Molecular Weight (g/mol): 217.257 MDL Number: MFCD00082512 InChI Key: VKTSIMMJOIPMGE-UHFFFAOYSA-N Synonym: N-Thionyl-p-toluenesulfonamide PubChem CID: 562840 IUPAC Name: 4-methyl-N-sulfinylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=S=O
| PubChem CID | 562840 |
|---|---|
| CAS | 4104-47-6 |
| Molecular Weight (g/mol) | 217.257 |
| MDL Number | MFCD00082512 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=S=O |
| Synonym | N-Thionyl-p-toluenesulfonamide |
| IUPAC Name | 4-methyl-N-sulfinylbenzenesulfonamide |
| InChI Key | VKTSIMMJOIPMGE-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3S2 |
1,4-Dibenzoylbenzene 98.0+%, TCI America™
CAS: 3016-97-5 Molecular Formula: C20H14O2 Molecular Weight (g/mol): 286.33 MDL Number: MFCD00014087 InChI Key: NPENBPVOAXERED-UHFFFAOYSA-N Synonym: 1,4-dibenzoylbenzene,1,4-phenylenebis phenylmethanone,methanone, 1,4-phenylenebis phenyl,p-dibenzoylbenzene,4-benzoylbenzophenone,4-benzoylphenyl phenyl methanone,phenyl 4-phenylcarbonyl phenyl ketone,acmc-1cqof,4-benzoylphenyl-phenylmethanone PubChem CID: 76395 IUPAC Name: (4-benzoylphenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
| PubChem CID | 76395 |
|---|---|
| CAS | 3016-97-5 |
| Molecular Weight (g/mol) | 286.33 |
| MDL Number | MFCD00014087 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 |
| Synonym | 1,4-dibenzoylbenzene,1,4-phenylenebis phenylmethanone,methanone, 1,4-phenylenebis phenyl,p-dibenzoylbenzene,4-benzoylbenzophenone,4-benzoylphenyl phenyl methanone,phenyl 4-phenylcarbonyl phenyl ketone,acmc-1cqof,4-benzoylphenyl-phenylmethanone |
| IUPAC Name | (4-benzoylphenyl)-phenylmethanone |
| InChI Key | NPENBPVOAXERED-UHFFFAOYSA-N |
| Molecular Formula | C20H14O2 |
3-Chloro-2-iodotoluene 95.0+%, TCI America™
CAS: 5100-98-1 Molecular Formula: C7H6ClI Molecular Weight (g/mol): 252.479 MDL Number: MFCD00051756 InChI Key: FTGLKPMFTLNUBN-UHFFFAOYSA-N Synonym: 3-chloro-2-iodotoluene,toluene, 3-chloro-2-iodo,benzene, 1-chloro-2-iodo-3-methyl,pubchem3655,acmc-1asrb,ksc493o0b,1-chloro-2-iodo-3-methyl-benzene,buttpark 121\11-21,1-chloranyl-2-iodanyl-3-methyl-benzene PubChem CID: 138414 IUPAC Name: 1-chloro-2-iodo-3-methylbenzene SMILES: CC1=C(C(=CC=C1)Cl)I
| PubChem CID | 138414 |
|---|---|
| CAS | 5100-98-1 |
| Molecular Weight (g/mol) | 252.479 |
| MDL Number | MFCD00051756 |
| SMILES | CC1=C(C(=CC=C1)Cl)I |
| Synonym | 3-chloro-2-iodotoluene,toluene, 3-chloro-2-iodo,benzene, 1-chloro-2-iodo-3-methyl,pubchem3655,acmc-1asrb,ksc493o0b,1-chloro-2-iodo-3-methyl-benzene,buttpark 121\11-21,1-chloranyl-2-iodanyl-3-methyl-benzene |
| IUPAC Name | 1-chloro-2-iodo-3-methylbenzene |
| InChI Key | FTGLKPMFTLNUBN-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClI |
(S)-(-)-1,1,2-Triphenyl-1,2-ethanediol, TCI America™
CAS: 108998-83-0 Molecular Formula: C20H18O2 Molecular Weight (g/mol): 290.362 MDL Number: MFCD00075492 InChI Key: GWVWUZJOQHWMFB-IBGZPJMESA-N Synonym: s---1,1,2-triphenylethane-1,2-diol,s---1,1,2-triphenyl-1,2-ethanediol,s-1,1,2-triphenylethane-1,2-diol,2s-1,1,2-triphenylethane-1,2-diol,s-1,1,2-triphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2-triphenyl-, 2s,1,1,2-triphenyl-ethane-1,2-diol,s-1,1,2-triphenyl-ethane-1,2-diol,s-triphenyl-ethane-1,2-diol,s---triphenylethylene glycol PubChem CID: 7000031 IUPAC Name: (2S)-1,1,2-triphenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O
| PubChem CID | 7000031 |
|---|---|
| CAS | 108998-83-0 |
| Molecular Weight (g/mol) | 290.362 |
| MDL Number | MFCD00075492 |
| SMILES | C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O |
| Synonym | s---1,1,2-triphenylethane-1,2-diol,s---1,1,2-triphenyl-1,2-ethanediol,s-1,1,2-triphenylethane-1,2-diol,2s-1,1,2-triphenylethane-1,2-diol,s-1,1,2-triphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2-triphenyl-, 2s,1,1,2-triphenyl-ethane-1,2-diol,s-1,1,2-triphenyl-ethane-1,2-diol,s-triphenyl-ethane-1,2-diol,s---triphenylethylene glycol |
| IUPAC Name | (2S)-1,1,2-triphenylethane-1,2-diol |
| InChI Key | GWVWUZJOQHWMFB-IBGZPJMESA-N |
| Molecular Formula | C20H18O2 |
Methyl 2,6-Dihydroxybenzoate 98.0+%, TCI America™
CAS: 2150-45-0 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00059619 InChI Key: WCQZCKUNZVMBDC-UHFFFAOYSA-N Synonym: 2,6-dihydroxybenzoic acid methyl ester,benzoic acid, 2,6-dihydroxy-, methyl ester,.gamma.-resorcylic acid, methyl ester,acmc-209fl9,2-methoxycarbonyl resorcinol,methyl 2,6-dihydroxy benzoate,gamma-resorcylic acid methyl ester,methyl 2,6-dihydroxybenzoate,methyl-2,6-dihydroxybenzoate,2-methoxycarbonyl benzene-1,3-diol PubChem CID: 519869 IUPAC Name: methyl 2,6-dihydroxybenzoate SMILES: COC(=O)C1=C(O)C=CC=C1O
| PubChem CID | 519869 |
|---|---|
| CAS | 2150-45-0 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00059619 |
| SMILES | COC(=O)C1=C(O)C=CC=C1O |
| Synonym | 2,6-dihydroxybenzoic acid methyl ester,benzoic acid, 2,6-dihydroxy-, methyl ester,.gamma.-resorcylic acid, methyl ester,acmc-209fl9,2-methoxycarbonyl resorcinol,methyl 2,6-dihydroxy benzoate,gamma-resorcylic acid methyl ester,methyl 2,6-dihydroxybenzoate,methyl-2,6-dihydroxybenzoate,2-methoxycarbonyl benzene-1,3-diol |
| IUPAC Name | methyl 2,6-dihydroxybenzoate |
| InChI Key | WCQZCKUNZVMBDC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
RuCl2[(R)-dm-segphos(regR)][(R,R)-dpen], TCI America™
CAS: 944450-45-7 Molecular Formula: C60H60Cl2N2O4P2Ru Molecular Weight (g/mol): 1107.068 MDL Number: MFCD09753031 InChI Key: FOEKPXQPRAIJRW-ODQAEMFESA-L PubChem CID: 71310561 IUPAC Name: [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine SMILES: CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N.Cl[Ru]Cl
| PubChem CID | 71310561 |
|---|---|
| CAS | 944450-45-7 |
| Molecular Weight (g/mol) | 1107.068 |
| MDL Number | MFCD09753031 |
| SMILES | CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N.Cl[Ru]Cl |
| IUPAC Name | [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine |
| InChI Key | FOEKPXQPRAIJRW-ODQAEMFESA-L |
| Molecular Formula | C60H60Cl2N2O4P2Ru |