Benzene and substituted derivatives
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Benzaldehyde dimethyl acetal, 99%
CAS: 1125-88-8 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00008491 InChI Key: HEVMDQBCAHEHDY-UHFFFAOYSA-N Synonym: benzaldehyde dimethyl acetal,dimethoxymethyl benzene,alpha,alpha-dimethoxytoluene,dimethoxyphenylmethane,benzene, dimethoxymethyl,benzaldehydedimethylacetal,dimethoxymethyl-benzene,benzaldehyde, dimethyl acetal,benzaldehyde dimethylacetal,unii-w6t83k35ca PubChem CID: 62375 IUPAC Name: dimethoxymethylbenzene SMILES: COC(C1=CC=CC=C1)OC
| PubChem CID | 62375 |
|---|---|
| CAS | 1125-88-8 |
| Molecular Weight (g/mol) | 152.193 |
| MDL Number | MFCD00008491 |
| SMILES | COC(C1=CC=CC=C1)OC |
| Synonym | benzaldehyde dimethyl acetal,dimethoxymethyl benzene,alpha,alpha-dimethoxytoluene,dimethoxyphenylmethane,benzene, dimethoxymethyl,benzaldehydedimethylacetal,dimethoxymethyl-benzene,benzaldehyde, dimethyl acetal,benzaldehyde dimethylacetal,unii-w6t83k35ca |
| IUPAC Name | dimethoxymethylbenzene |
| InChI Key | HEVMDQBCAHEHDY-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
3-(Bromomethyl)benzonitrile, 98%
CAS: 28188-41-2 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00001809 InChI Key: CVKOOKPNCVYHNY-UHFFFAOYSA-N Synonym: 3-bromomethyl benzonitrile,3-cyanobenzyl bromide,alpha-bromo-m-tolunitrile,m-cyanobenzyl bromide,benzonitrile, 3-bromomethyl,m-bromomethyl benzonitrile,alpha-bromo-m-toluonitrile,m-tolunitrile, .alpha.-bromo,a-bromo-m-tolunitrile,3-bromomethyl-benzonitrile PubChem CID: 97249 IUPAC Name: 3-(bromomethyl)benzonitrile SMILES: BrCC1=CC=CC(=C1)C#N
| PubChem CID | 97249 |
|---|---|
| CAS | 28188-41-2 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD00001809 |
| SMILES | BrCC1=CC=CC(=C1)C#N |
| Synonym | 3-bromomethyl benzonitrile,3-cyanobenzyl bromide,alpha-bromo-m-tolunitrile,m-cyanobenzyl bromide,benzonitrile, 3-bromomethyl,m-bromomethyl benzonitrile,alpha-bromo-m-toluonitrile,m-tolunitrile, .alpha.-bromo,a-bromo-m-tolunitrile,3-bromomethyl-benzonitrile |
| IUPAC Name | 3-(bromomethyl)benzonitrile |
| InChI Key | CVKOOKPNCVYHNY-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN |
Triphenylphosphine-3,3',3″-trisulfonic acid trisodium salt hydrate, tech. 85%
CAS: 335421-90-4 Molecular Formula: C18H12Na3O9PS3 Molecular Weight (g/mol): 568.41 MDL Number: MFCD00145472 InChI Key: MYAJTCUQMQREFZ-UHFFFAOYSA-K Synonym: sodium 3,3',3-phosphinetriyltribenzenesulfonate,tppts,triphenylphosphine-3,3',3-trisulfonic acid trisodium salt,tris 3-sulfophenyl phosphine trisodium salt,trisodium 3,3',3-phosphinetriyltris benzene-1-sulphonate,trisodium 3-bis 3-sulfonatophenyl phosphanylbenzenesulfonate,tri m-sulfophenyl phosphine, sodium salt,benzenesulfonic acid, 3,3',3-phosphinidynetris-, trisodium salt,triphenylphosphine-3,3 ,3-trisulfonic acid trisodium salt,pubchem16013 PubChem CID: 6099338 IUPAC Name: trisodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate
| PubChem CID | 6099338 |
|---|---|
| CAS | 335421-90-4 |
| Molecular Weight (g/mol) | 568.41 |
| MDL Number | MFCD00145472 |
| Synonym | sodium 3,3',3-phosphinetriyltribenzenesulfonate,tppts,triphenylphosphine-3,3',3-trisulfonic acid trisodium salt,tris 3-sulfophenyl phosphine trisodium salt,trisodium 3,3',3-phosphinetriyltris benzene-1-sulphonate,trisodium 3-bis 3-sulfonatophenyl phosphanylbenzenesulfonate,tri m-sulfophenyl phosphine, sodium salt,benzenesulfonic acid, 3,3',3-phosphinidynetris-, trisodium salt,triphenylphosphine-3,3 ,3-trisulfonic acid trisodium salt,pubchem16013 |
| IUPAC Name | trisodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate |
| InChI Key | MYAJTCUQMQREFZ-UHFFFAOYSA-K |
| Molecular Formula | C18H12Na3O9PS3 |
m-Tolualdehyde, 97%, stab. with 0.1% hydroquinone
CAS: 620-23-5 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00003374 InChI Key: OVWYEQOVUDKZNU-UHFFFAOYSA-N Synonym: m-tolualdehyde,benzaldehyde, 3-methyl,m-methylbenzaldehyde,3-tolylaldehyde,3-tolualdehyde,m-tolyl aldehyde,m-toluylaldehyde,3-methyl-benzaldehyd,unii-owh6650c4y,3-methyl benzaldehyde PubChem CID: 12105 ChEBI: CHEBI:28476 IUPAC Name: 3-methylbenzaldehyde SMILES: CC1=CC=CC(=C1)C=O
| PubChem CID | 12105 |
|---|---|
| CAS | 620-23-5 |
| Molecular Weight (g/mol) | 120.151 |
| ChEBI | CHEBI:28476 |
| MDL Number | MFCD00003374 |
| SMILES | CC1=CC=CC(=C1)C=O |
| Synonym | m-tolualdehyde,benzaldehyde, 3-methyl,m-methylbenzaldehyde,3-tolylaldehyde,3-tolualdehyde,m-tolyl aldehyde,m-toluylaldehyde,3-methyl-benzaldehyd,unii-owh6650c4y,3-methyl benzaldehyde |
| IUPAC Name | 3-methylbenzaldehyde |
| InChI Key | OVWYEQOVUDKZNU-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
2,3-Dimethoxybenzoic acid, 99%
CAS: 1521-38-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002432 InChI Key: FODBVCSYJKNBLO-UHFFFAOYSA-N Synonym: o-veratric acid,benzoic acid, 2,3-dimethoxy,benzoic acid, dimethoxy,2,3-dimethoxy benzoic acid,dimethoxybenzoic acid,2,3,o-veratric acid 6ci,7ci,8ci,2,3-dimethoxybenzoicacid,dimethoxybenzoic acid,pubchem4948,2,3-dimethoxy-benzoicaci PubChem CID: 15204 IUPAC Name: 2,3-dimethoxybenzoic acid SMILES: COC1=CC=CC(C(O)=O)=C1OC
| PubChem CID | 15204 |
|---|---|
| CAS | 1521-38-6 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00002432 |
| SMILES | COC1=CC=CC(C(O)=O)=C1OC |
| Synonym | o-veratric acid,benzoic acid, 2,3-dimethoxy,benzoic acid, dimethoxy,2,3-dimethoxy benzoic acid,dimethoxybenzoic acid,2,3,o-veratric acid 6ci,7ci,8ci,2,3-dimethoxybenzoicacid,dimethoxybenzoic acid,pubchem4948,2,3-dimethoxy-benzoicaci |
| IUPAC Name | 2,3-dimethoxybenzoic acid |
| InChI Key | FODBVCSYJKNBLO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
4-(Bromomethyl)benzonitrile, 98%
CAS: 17201-43-3 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.047 MDL Number: MFCD00001829 InChI Key: UMLFTCYAQPPZER-UHFFFAOYSA-N Synonym: 4-cyanobenzyl bromide,4-bromomethyl benzonitrile,p-cyanobenzyl bromide,alpha-bromo-p-tolunitrile,benzonitrile, 4-bromomethyl,4-bromomethyl-benzonitrile,alpha-bromo-p-toluonitrile,p-bromomethyl benzonitrile,4-cyano benzyl bromide,benzonitrile, p-bromomethyl PubChem CID: 86996 IUPAC Name: 4-(bromomethyl)benzonitrile SMILES: C1=CC(=CC=C1CBr)C#N
| PubChem CID | 86996 |
|---|---|
| CAS | 17201-43-3 |
| Molecular Weight (g/mol) | 196.047 |
| MDL Number | MFCD00001829 |
| SMILES | C1=CC(=CC=C1CBr)C#N |
| Synonym | 4-cyanobenzyl bromide,4-bromomethyl benzonitrile,p-cyanobenzyl bromide,alpha-bromo-p-tolunitrile,benzonitrile, 4-bromomethyl,4-bromomethyl-benzonitrile,alpha-bromo-p-toluonitrile,p-bromomethyl benzonitrile,4-cyano benzyl bromide,benzonitrile, p-bromomethyl |
| IUPAC Name | 4-(bromomethyl)benzonitrile |
| InChI Key | UMLFTCYAQPPZER-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN |
2-Amino-3-bromo-5-methylbenzoic acid, 98+%
CAS: 13091-43-5 Molecular Formula: C8H8BrNO2 Molecular Weight (g/mol): 230.06 MDL Number: MFCD00051705 InChI Key: LCMZECCEEOQWLQ-UHFFFAOYSA-N PubChem CID: 2774400 IUPAC Name: 2-amino-3-bromo-5-methylbenzoic acid SMILES: CC1=CC(Br)=C(N)C(=C1)C(O)=O
| PubChem CID | 2774400 |
|---|---|
| CAS | 13091-43-5 |
| Molecular Weight (g/mol) | 230.06 |
| MDL Number | MFCD00051705 |
| SMILES | CC1=CC(Br)=C(N)C(=C1)C(O)=O |
| IUPAC Name | 2-amino-3-bromo-5-methylbenzoic acid |
| InChI Key | LCMZECCEEOQWLQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrNO2 |
2-Amino-5-iodobenzoic acid, 98%
CAS: 5326-47-6 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.034 MDL Number: MFCD00007849 InChI Key: GOLGILSVWFKZRQ-UHFFFAOYSA-N Synonym: 5-iodoanthranilic acid,benzoic acid, 2-amino-5-iodo,5-iodoanthranil acid,anthranilic acid, 5-iodo,2-amino-5-iodo-benzoic acid,pubchem2543,5-iodo anthranilic acid,acmc-1ays8,2-amino-5-iodobenzoicacid,5-iodo-2-aminobenzoic acid PubChem CID: 72911 IUPAC Name: 2-amino-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)N
| PubChem CID | 72911 |
|---|---|
| CAS | 5326-47-6 |
| Molecular Weight (g/mol) | 263.034 |
| MDL Number | MFCD00007849 |
| SMILES | C1=CC(=C(C=C1I)C(=O)O)N |
| Synonym | 5-iodoanthranilic acid,benzoic acid, 2-amino-5-iodo,5-iodoanthranil acid,anthranilic acid, 5-iodo,2-amino-5-iodo-benzoic acid,pubchem2543,5-iodo anthranilic acid,acmc-1ays8,2-amino-5-iodobenzoicacid,5-iodo-2-aminobenzoic acid |
| IUPAC Name | 2-amino-5-iodobenzoic acid |
| InChI Key | GOLGILSVWFKZRQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6INO2 |
2-Bromophenylacetonitrile, 97%
CAS: 19472-74-3 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00001896 InChI Key: BVCOJESIQPNOIF-UHFFFAOYSA-N Synonym: 2-bromophenylacetonitrile,2-bromobenzyl cyanide,2-2-bromophenyl acetonitrile,o-bromobenzyl cyanide,2-bromophenyl acetonitrile,o-bromophenylacetonitrile,benzeneacetonitrile, bromo,2-2-bromophenyl ethanenitrile,benzeneacetonitrile, 2-bromo,2-bromo-phenyl-acetonitrile PubChem CID: 29625 IUPAC Name: 2-(2-bromophenyl)acetonitrile SMILES: BrC1=CC=CC=C1CC#N
| PubChem CID | 29625 |
|---|---|
| CAS | 19472-74-3 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD00001896 |
| SMILES | BrC1=CC=CC=C1CC#N |
| Synonym | 2-bromophenylacetonitrile,2-bromobenzyl cyanide,2-2-bromophenyl acetonitrile,o-bromobenzyl cyanide,2-bromophenyl acetonitrile,o-bromophenylacetonitrile,benzeneacetonitrile, bromo,2-2-bromophenyl ethanenitrile,benzeneacetonitrile, 2-bromo,2-bromo-phenyl-acetonitrile |
| IUPAC Name | 2-(2-bromophenyl)acetonitrile |
| InChI Key | BVCOJESIQPNOIF-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN |
4-Bromoanisole, 99%
CAS: 104-92-7 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.036 MDL Number: MFCD00000097 InChI Key: QJPJQTDYNZXKQF-UHFFFAOYSA-N Synonym: 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide PubChem CID: 7730 ChEBI: CHEBI:47257 IUPAC Name: 1-bromo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)Br
| PubChem CID | 7730 |
|---|---|
| CAS | 104-92-7 |
| Molecular Weight (g/mol) | 187.036 |
| ChEBI | CHEBI:47257 |
| MDL Number | MFCD00000097 |
| SMILES | COC1=CC=C(C=C1)Br |
| Synonym | 4-bromoanisole,p-bromoanisole,benzene, 1-bromo-4-methoxy,4-methoxybromobenzene,anisyl bromide,p-anisyl bromide,p-bromanisole,p-methoxybromobenzene,p-methoxyphenyl bromide,4-methoxyphenyl bromide |
| IUPAC Name | 1-bromo-4-methoxybenzene |
| InChI Key | QJPJQTDYNZXKQF-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO |
p-Toluenesulfonyl isocyanate, 95%
CAS: 4083-64-1 Molecular Formula: C8H7NO3S Molecular Weight (g/mol): 197.21 MDL Number: MFCD00002030 InChI Key: VLJQDHDVZJXNQL-UHFFFAOYSA-N Synonym: tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate PubChem CID: 77703 IUPAC Name: 4-methyl-N-(oxomethylidene)benzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C=O
| PubChem CID | 77703 |
|---|---|
| CAS | 4083-64-1 |
| Molecular Weight (g/mol) | 197.21 |
| MDL Number | MFCD00002030 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C=O |
| Synonym | tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate |
| IUPAC Name | 4-methyl-N-(oxomethylidene)benzenesulfonamide |
| InChI Key | VLJQDHDVZJXNQL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3S |
2-Chloro-5-nitrobenzaldehyde, 97%
CAS: 6361-21-3 Molecular Formula: C7H4ClNO3 Molecular Weight (g/mol): 185.56 MDL Number: MFCD00007293 InChI Key: VFVHWCKUHAEDMY-UHFFFAOYSA-N Synonym: benzaldehyde, 2-chloro-5-nitro,3-nitro-6-chlorobenzaldehyde,2-chloro-5-nitro-benzaldehyde,unii-pf4ill0i3h,pf4ill0i3h,2-chlor-5-nitrobenzaldehyd,pubchem7375,wln: wnr dg cvh,chloro-5-nitrobenzaldehyde,asischem r37046 PubChem CID: 72933 IUPAC Name: 2-chloro-5-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(Cl)C(C=O)=C1
| PubChem CID | 72933 |
|---|---|
| CAS | 6361-21-3 |
| Molecular Weight (g/mol) | 185.56 |
| MDL Number | MFCD00007293 |
| SMILES | [O-][N+](=O)C1=CC=C(Cl)C(C=O)=C1 |
| Synonym | benzaldehyde, 2-chloro-5-nitro,3-nitro-6-chlorobenzaldehyde,2-chloro-5-nitro-benzaldehyde,unii-pf4ill0i3h,pf4ill0i3h,2-chlor-5-nitrobenzaldehyd,pubchem7375,wln: wnr dg cvh,chloro-5-nitrobenzaldehyde,asischem r37046 |
| IUPAC Name | 2-chloro-5-nitrobenzaldehyde |
| InChI Key | VFVHWCKUHAEDMY-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO3 |
4,4'-Di-tert-butylbiphenyl, 99%
CAS: 1625-91-8 Molecular Formula: C20H26 Molecular Weight (g/mol): 266.428 MDL Number: MFCD00008834 InChI Key: CDKCEZNPAYWORX-UHFFFAOYSA-N Synonym: 4,4'-di-tert-butylbiphenyl,4,4'-di-tert-butyl-1,1'-biphenyl,4,4'-di-t-butylbiphenyl,1-tert-butyl-4-4-tert-butylphenyl benzene,1,1'-biphenyl, 4,4'-bis 1,1-dimethylethyl,1-tert-butyl-4-4-tert-butyl phenyl benzene,di-t-butylbiphenyl,pubchem9048,acmc-209st2,4,4'-di-tertbutylbiphenyl PubChem CID: 74195 IUPAC Name: 1-tert-butyl-4-(4-tert-butylphenyl)benzene SMILES: CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(C)(C)C
| PubChem CID | 74195 |
|---|---|
| CAS | 1625-91-8 |
| Molecular Weight (g/mol) | 266.428 |
| MDL Number | MFCD00008834 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(C)(C)C |
| Synonym | 4,4'-di-tert-butylbiphenyl,4,4'-di-tert-butyl-1,1'-biphenyl,4,4'-di-t-butylbiphenyl,1-tert-butyl-4-4-tert-butylphenyl benzene,1,1'-biphenyl, 4,4'-bis 1,1-dimethylethyl,1-tert-butyl-4-4-tert-butyl phenyl benzene,di-t-butylbiphenyl,pubchem9048,acmc-209st2,4,4'-di-tertbutylbiphenyl |
| IUPAC Name | 1-tert-butyl-4-(4-tert-butylphenyl)benzene |
| InChI Key | CDKCEZNPAYWORX-UHFFFAOYSA-N |
| Molecular Formula | C20H26 |
3,5-Difluorobenzeneboronic acid, 97+%
CAS: 156545-07-2 Molecular Formula: C6H5BF2O2 Molecular Weight (g/mol): 157.911 MDL Number: MFCD01318138 InChI Key: QWQBQRYFWNIDOC-UHFFFAOYSA-N Synonym: 3,5-difluorobenzeneboronic acid,3,5-difluorophenyl boronic acid,3,5-difluorophenyl boranediol,3,5-difluoro phenylboric acid,boronic acid, 3,5-difluorophenyl,3,5-difluorophenyl dihydroxyborane,3,5-difluoro phenylboronic acid,boronic acid, b-3,5-difluorophenyl,3,5-difluorophenylbornic acid PubChem CID: 2734338 IUPAC Name: (3,5-difluorophenyl)boronic acid SMILES: B(C1=CC(=CC(=C1)F)F)(O)O
| PubChem CID | 2734338 |
|---|---|
| CAS | 156545-07-2 |
| Molecular Weight (g/mol) | 157.911 |
| MDL Number | MFCD01318138 |
| SMILES | B(C1=CC(=CC(=C1)F)F)(O)O |
| Synonym | 3,5-difluorobenzeneboronic acid,3,5-difluorophenyl boronic acid,3,5-difluorophenyl boranediol,3,5-difluoro phenylboric acid,boronic acid, 3,5-difluorophenyl,3,5-difluorophenyl dihydroxyborane,3,5-difluoro phenylboronic acid,boronic acid, b-3,5-difluorophenyl,3,5-difluorophenylbornic acid |
| IUPAC Name | (3,5-difluorophenyl)boronic acid |
| InChI Key | QWQBQRYFWNIDOC-UHFFFAOYSA-N |
| Molecular Formula | C6H5BF2O2 |
4-Benzyloxy-1-butanol, 97%
CAS: 4541-14-4 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.25 MDL Number: MFCD00155211 InChI Key: TYROJDFHUXSBHC-UHFFFAOYSA-N Synonym: 4-benzyloxy butan-1-ol,4-benzyloxy-1-butanol,1-butanol, 4-phenylmethoxy,1-butanol, 4-benzyloxy,4-benyloxybutanol,4-benzyloxybutanol,4-benzyloxybutan-1-ol,4-benzyloxybutyl alcohol,acmc-1agsb PubChem CID: 562212 IUPAC Name: 4-phenylmethoxybutan-1-ol SMILES: C1=CC=C(C=C1)COCCCCO
| PubChem CID | 562212 |
|---|---|
| CAS | 4541-14-4 |
| Molecular Weight (g/mol) | 180.25 |
| MDL Number | MFCD00155211 |
| SMILES | C1=CC=C(C=C1)COCCCCO |
| Synonym | 4-benzyloxy butan-1-ol,4-benzyloxy-1-butanol,1-butanol, 4-phenylmethoxy,1-butanol, 4-benzyloxy,4-benyloxybutanol,4-benzyloxybutanol,4-benzyloxybutan-1-ol,4-benzyloxybutyl alcohol,acmc-1agsb |
| IUPAC Name | 4-phenylmethoxybutan-1-ol |
| InChI Key | TYROJDFHUXSBHC-UHFFFAOYSA-N |
| Molecular Formula | C11H16O2 |