Benzene and substituted derivatives
Filtered Search Results
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 |
3-Nitrobenzylamine hydrochloride, 97%
CAS: 26177-43-5 Molecular Formula: C7H8N2O2·HCl Molecular Weight (g/mol): 188.62 MDL Number: MFCD00012858 InChI Key: DLZXLCHQWOZGSE-UHFFFAOYSA-N Synonym: 3-nitrobenzylamine hydrochloride,3-nitrophenyl methanamine hydrochloride,3-nitrobenzylamine hcl,3-nitrobenzylammonium hydrochloride,benzenemethanamine, 3-nitro-, monohydrochloride,1-3-nitrophenyl methanamine hydrochloride,pubchem7485,chembl13978,m-nitrobenzylamine hydrochloride,3-nitrobenzyl amine hydrochloride PubChem CID: 2724030 IUPAC Name: (3-nitrophenyl)methanamine;hydrochloride SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CN.Cl
| PubChem CID | 2724030 |
|---|---|
| CAS | 26177-43-5 |
| Molecular Weight (g/mol) | 188.62 |
| MDL Number | MFCD00012858 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CN.Cl |
| Synonym | 3-nitrobenzylamine hydrochloride,3-nitrophenyl methanamine hydrochloride,3-nitrobenzylamine hcl,3-nitrobenzylammonium hydrochloride,benzenemethanamine, 3-nitro-, monohydrochloride,1-3-nitrophenyl methanamine hydrochloride,pubchem7485,chembl13978,m-nitrobenzylamine hydrochloride,3-nitrobenzyl amine hydrochloride |
| IUPAC Name | (3-nitrophenyl)methanamine;hydrochloride |
| InChI Key | DLZXLCHQWOZGSE-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2·HCl |
alpha,alpha-Dimethylbenzylamine, 96%
CAS: 585-32-0 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00134680 InChI Key: KDFDOINBXBEOLZ-UHFFFAOYSA-N Synonym: cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine PubChem CID: 68509 IUPAC Name: 2-phenylpropan-2-amine SMILES: CC(C)(N)C1=CC=CC=C1
| PubChem CID | 68509 |
|---|---|
| CAS | 585-32-0 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00134680 |
| SMILES | CC(C)(N)C1=CC=CC=C1 |
| Synonym | cumylamine,alpha,alpha-dimethylbenzylamine,1-methyl-1-phenyl-ethylamine,1-methyl-1-phenylethylamine,2-phenyl-2-propanamine,alpha-aminoisopropylbenzene,benzenemethanamine, alpha,alpha-dimethyl,dimethyl-aminophenylmethane,cumyl amine,phenisopropyl amine |
| IUPAC Name | 2-phenylpropan-2-amine |
| InChI Key | KDFDOINBXBEOLZ-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
1-Benzyl-3-pyrroline, 98%
CAS: 6913-92-4 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.232 MDL Number: MFCD00012324 InChI Key: LRFHKHHUKGZIGE-UHFFFAOYSA-N Synonym: 1-benzyl-3-pyrroline,1-benzyl-2,5-dihydro-1h-pyrrole,n-benzylpyrroline,n-benzyl-3-pyrroline,1h-pyrrole, 2,5-dihydro-1-phenylmethyl,maleimide-related compound 16,l-benzyl-3-pyrroline,n-benzyl 3-pyrroline,1-benzylpyrroline PubChem CID: 561506 IUPAC Name: 1-benzyl-2,5-dihydropyrrole SMILES: C1C=CCN1CC2=CC=CC=C2
| PubChem CID | 561506 |
|---|---|
| CAS | 6913-92-4 |
| Molecular Weight (g/mol) | 159.232 |
| MDL Number | MFCD00012324 |
| SMILES | C1C=CCN1CC2=CC=CC=C2 |
| Synonym | 1-benzyl-3-pyrroline,1-benzyl-2,5-dihydro-1h-pyrrole,n-benzylpyrroline,n-benzyl-3-pyrroline,1h-pyrrole, 2,5-dihydro-1-phenylmethyl,maleimide-related compound 16,l-benzyl-3-pyrroline,n-benzyl 3-pyrroline,1-benzylpyrroline |
| IUPAC Name | 1-benzyl-2,5-dihydropyrrole |
| InChI Key | LRFHKHHUKGZIGE-UHFFFAOYSA-N |
| Molecular Formula | C11H13N |
2-Bromostyrene, 96%, stab. with ca 0.05% 4-tert-butylcatechol
CAS: 2039-88-5 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.048 MDL Number: MFCD00000076 InChI Key: SSZOCHFYWWVSAI-UHFFFAOYSA-N Synonym: 2-bromostyrene,1-bromo-2-vinylbenzene,o-bromostyrene,benzene, 1-bromo-2-ethenyl,unii-9a96gp6z5d,styrene, o-bromo,2-bromo-styrene,o-bromovinylbenzene,pubchem23975,2-bromo-1-vinylbenzene PubChem CID: 16264 IUPAC Name: 1-bromo-2-ethenylbenzene SMILES: C=CC1=CC=CC=C1Br
| PubChem CID | 16264 |
|---|---|
| CAS | 2039-88-5 |
| Molecular Weight (g/mol) | 183.048 |
| MDL Number | MFCD00000076 |
| SMILES | C=CC1=CC=CC=C1Br |
| Synonym | 2-bromostyrene,1-bromo-2-vinylbenzene,o-bromostyrene,benzene, 1-bromo-2-ethenyl,unii-9a96gp6z5d,styrene, o-bromo,2-bromo-styrene,o-bromovinylbenzene,pubchem23975,2-bromo-1-vinylbenzene |
| IUPAC Name | 1-bromo-2-ethenylbenzene |
| InChI Key | SSZOCHFYWWVSAI-UHFFFAOYSA-N |
| Molecular Formula | C8H7Br |
Methyl 3-iodo-4-methylbenzoate, 98%
CAS: 90347-66-3 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.073 MDL Number: MFCD00230583 InChI Key: NKMHAOTZPFVSPC-UHFFFAOYSA-N Synonym: 3-iodo-4-methylbenzoic acid methyl ester,methyl 3-iodo-p-toluate,methyl-3-iodo-4-methylbenzoate,methyl 3-iodo-4-methyl-benzoate,2-iodo-4-methoxycarbonyl toluene,benzoic acid, 3-iodo-4-methyl-, methyl ester,methyl3-iodo-4-methylbenzoate,3-iodo-4-methylbenzoic acidmethyl ester,methyl 3-iodo-4-meth,ksc495m1r PubChem CID: 13614033 IUPAC Name: methyl 3-iodo-4-methylbenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)I
| PubChem CID | 13614033 |
|---|---|
| CAS | 90347-66-3 |
| Molecular Weight (g/mol) | 276.073 |
| MDL Number | MFCD00230583 |
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)I |
| Synonym | 3-iodo-4-methylbenzoic acid methyl ester,methyl 3-iodo-p-toluate,methyl-3-iodo-4-methylbenzoate,methyl 3-iodo-4-methyl-benzoate,2-iodo-4-methoxycarbonyl toluene,benzoic acid, 3-iodo-4-methyl-, methyl ester,methyl3-iodo-4-methylbenzoate,3-iodo-4-methylbenzoic acidmethyl ester,methyl 3-iodo-4-meth,ksc495m1r |
| IUPAC Name | methyl 3-iodo-4-methylbenzoate |
| InChI Key | NKMHAOTZPFVSPC-UHFFFAOYSA-N |
| Molecular Formula | C9H9IO2 |
3-Methoxybenzyl chloride, 98+%
CAS: 824-98-6 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00000907 InChI Key: VGISFWWEOGVMED-UHFFFAOYSA-N Synonym: 3-methoxybenzyl chloride,1-chloromethyl-3-methoxybenzene,m-methoxybenzyl chloride,m-chloromethyl anisole,benzene, 1-chloromethyl-3-methoxy,anisole, m-chloromethyl,3-methoxybenzylchloride,3-chloromethyl anisole,3-methoxy benzyl chloride,benzyl chloride,3-methoxy PubChem CID: 69994 IUPAC Name: 1-(chloromethyl)-3-methoxybenzene SMILES: COC1=CC=CC(CCl)=C1
| PubChem CID | 69994 |
|---|---|
| CAS | 824-98-6 |
| Molecular Weight (g/mol) | 156.61 |
| MDL Number | MFCD00000907 |
| SMILES | COC1=CC=CC(CCl)=C1 |
| Synonym | 3-methoxybenzyl chloride,1-chloromethyl-3-methoxybenzene,m-methoxybenzyl chloride,m-chloromethyl anisole,benzene, 1-chloromethyl-3-methoxy,anisole, m-chloromethyl,3-methoxybenzylchloride,3-chloromethyl anisole,3-methoxy benzyl chloride,benzyl chloride,3-methoxy |
| IUPAC Name | 1-(chloromethyl)-3-methoxybenzene |
| InChI Key | VGISFWWEOGVMED-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
p-Toluenesulfonyl isocyanate, 96%, AcroSeal™
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 |
3-Bromo-4-methoxybenzoic acid, 98+%
CAS: 99-58-1 Molecular Formula: C8H6BrO3 Molecular Weight (g/mol): 230.04 MDL Number: MFCD00020295 InChI Key: BBPZABXVRBFWGD-UHFFFAOYSA-M Synonym: 3-bromo-p-anisic acid,benzoic acid, 3-bromo-4-methoxy,3-bromo-4-methoxybenzoicacid,akos bbb/210,rarechem al bo 0751,timtec-bb sbb009955,4-methoxy-3-bromo benzoic acid,3-bromanissaure,pubchem2675,2-bromo-4-carboxyanisole PubChem CID: 66836 IUPAC Name: 3-bromo-4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1Br)C([O-])=O
| PubChem CID | 66836 |
|---|---|
| CAS | 99-58-1 |
| Molecular Weight (g/mol) | 230.04 |
| MDL Number | MFCD00020295 |
| SMILES | COC1=CC=C(C=C1Br)C([O-])=O |
| Synonym | 3-bromo-p-anisic acid,benzoic acid, 3-bromo-4-methoxy,3-bromo-4-methoxybenzoicacid,akos bbb/210,rarechem al bo 0751,timtec-bb sbb009955,4-methoxy-3-bromo benzoic acid,3-bromanissaure,pubchem2675,2-bromo-4-carboxyanisole |
| IUPAC Name | 3-bromo-4-methoxybenzoic acid |
| InChI Key | BBPZABXVRBFWGD-UHFFFAOYSA-M |
| Molecular Formula | C8H6BrO3 |
3-Bromoanisole, 99+%
CAS: 2398-37-0 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.04 MDL Number: MFCD00000081 InChI Key: PLDWAJLZAAHOGG-UHFFFAOYSA-N Synonym: 3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole PubChem CID: 16971 IUPAC Name: 1-bromo-3-methoxybenzene SMILES: COC1=CC=CC(Br)=C1
| PubChem CID | 16971 |
|---|---|
| CAS | 2398-37-0 |
| Molecular Weight (g/mol) | 187.04 |
| MDL Number | MFCD00000081 |
| SMILES | COC1=CC=CC(Br)=C1 |
| Synonym | 3-bromoanisole,m-bromoanisole,3-methoxybromobenzene,3-bromo anisole,m-bromomethoxybenzene,benzene, 1-bromo-3-methoxy,anisole, m-bromo,3-methoxy-1-bromobenzene,m-methoxybromobenzene,meta-bromoanisole |
| IUPAC Name | 1-bromo-3-methoxybenzene |
| InChI Key | PLDWAJLZAAHOGG-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO |
Phenyl carbamate, 98+%
CAS: 622-46-8 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007961 InChI Key: BSCCSDNZEIHXOK-UHFFFAOYSA-N Synonym: carbamic acid, phenyl ester,phenol carbamate,carbamic acid phenyl ester,unii-jkb257u27v,o-phenyl carbamate,ccris 5071,phenyl aminooate,mono-phenylcarbamate,mono-phenol carbamate,phenyl carbamate PubChem CID: 69322 IUPAC Name: phenyl carbamate SMILES: C1=CC=C(C=C1)OC(=O)N
| PubChem CID | 69322 |
|---|---|
| CAS | 622-46-8 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD00007961 |
| SMILES | C1=CC=C(C=C1)OC(=O)N |
| Synonym | carbamic acid, phenyl ester,phenol carbamate,carbamic acid phenyl ester,unii-jkb257u27v,o-phenyl carbamate,ccris 5071,phenyl aminooate,mono-phenylcarbamate,mono-phenol carbamate,phenyl carbamate |
| IUPAC Name | phenyl carbamate |
| InChI Key | BSCCSDNZEIHXOK-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
2,4,6-Trifluorophenylboronic acid, 95%
CAS: 182482-25-3 Molecular Formula: C6H4BF3O2 Molecular Weight (g/mol): 175.90 MDL Number: MFCD01863169 InChI Key: IPEIGKHHSZFAEW-UHFFFAOYSA-N Synonym: 2,4,6-trifluorophenyl boronic acid,2,4,6-trifluorobenzeneboronic acid,2,4,6-trifluorophenylboronicacid,2,4,6-trifluorophenyl boranediol,boronic acid, 2,4,6-trifluorophenyl,pubchem1788,acmc-209ejj,chembl91770,boronicacid, b-2,4,6-trifluorophenyl,boronic acid, b-2,4,6-trifluorophenyl PubChem CID: 2779329 IUPAC Name: (2,4,6-trifluorophenyl)boronic acid SMILES: OB(O)C1=C(F)C=C(F)C=C1F
| PubChem CID | 2779329 |
|---|---|
| CAS | 182482-25-3 |
| Molecular Weight (g/mol) | 175.90 |
| MDL Number | MFCD01863169 |
| SMILES | OB(O)C1=C(F)C=C(F)C=C1F |
| Synonym | 2,4,6-trifluorophenyl boronic acid,2,4,6-trifluorobenzeneboronic acid,2,4,6-trifluorophenylboronicacid,2,4,6-trifluorophenyl boranediol,boronic acid, 2,4,6-trifluorophenyl,pubchem1788,acmc-209ejj,chembl91770,boronicacid, b-2,4,6-trifluorophenyl,boronic acid, b-2,4,6-trifluorophenyl |
| IUPAC Name | (2,4,6-trifluorophenyl)boronic acid |
| InChI Key | IPEIGKHHSZFAEW-UHFFFAOYSA-N |
| Molecular Formula | C6H4BF3O2 |
1-Iodo-4-n-pentylbenzene, 98%
CAS: 85017-60-3 Molecular Formula: C11H15I Molecular Weight (g/mol): 274.145 MDL Number: MFCD00079767 InChI Key: MTRMOYSZRPLAOL-UHFFFAOYSA-N Synonym: 4-iodopentylbenzene,1-iodo-4-n-pentylbenzene,4-pentyliodobenzene,#,1-iodanyl-4-pentyl-benzene PubChem CID: 145057 IUPAC Name: 1-iodo-4-pentylbenzene SMILES: CCCCCC1=CC=C(C=C1)I
| PubChem CID | 145057 |
|---|---|
| CAS | 85017-60-3 |
| Molecular Weight (g/mol) | 274.145 |
| MDL Number | MFCD00079767 |
| SMILES | CCCCCC1=CC=C(C=C1)I |
| Synonym | 4-iodopentylbenzene,1-iodo-4-n-pentylbenzene,4-pentyliodobenzene,#,1-iodanyl-4-pentyl-benzene |
| IUPAC Name | 1-iodo-4-pentylbenzene |
| InChI Key | MTRMOYSZRPLAOL-UHFFFAOYSA-N |
| Molecular Formula | C11H15I |
4-Methylbenzyl alcohol, 99%
CAS: 589-18-4 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00004664 InChI Key: KMTDMTZBNYGUNX-UHFFFAOYSA-N Synonym: 4-methylbenzyl alcohol,p-tolylmethanol,p-tolylcarbinol,4-methylphenyl methanol,4-tolylcarbinol,p-methylbenzyl alcohol,benzenemethanol, 4-methyl,4-hydroxymethyl toluene,benzyl alcohol, p-methyl,4-methylbenzenemethanol PubChem CID: 11505 ChEBI: CHEBI:1895 IUPAC Name: (4-methylphenyl)methanol SMILES: CC1=CC=C(C=C1)CO
| PubChem CID | 11505 |
|---|---|
| CAS | 589-18-4 |
| Molecular Weight (g/mol) | 122.167 |
| ChEBI | CHEBI:1895 |
| MDL Number | MFCD00004664 |
| SMILES | CC1=CC=C(C=C1)CO |
| Synonym | 4-methylbenzyl alcohol,p-tolylmethanol,p-tolylcarbinol,4-methylphenyl methanol,4-tolylcarbinol,p-methylbenzyl alcohol,benzenemethanol, 4-methyl,4-hydroxymethyl toluene,benzyl alcohol, p-methyl,4-methylbenzenemethanol |
| IUPAC Name | (4-methylphenyl)methanol |
| InChI Key | KMTDMTZBNYGUNX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
3-Phenoxy-1-propanol, 97%
CAS: 6180-61-6 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00039549 InChI Key: AWVDYRFLCAZENH-UHFFFAOYSA-N Synonym: 3-phenoxy-1-propanol,1-propanol, 3-phenoxy,3-phenoxy 1-propanol,unii-515pbp1u72,propoxylated phenol,ph 4p,polypropylene glycol phenyl ether,3-phenoxypropanol,3-phenyloxypropanol,polypropylene glycol monophenyl ether PubChem CID: 80319 IUPAC Name: 3-phenoxypropan-1-ol SMILES: OCCCOC1=CC=CC=C1
| PubChem CID | 80319 |
|---|---|
| CAS | 6180-61-6 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00039549 |
| SMILES | OCCCOC1=CC=CC=C1 |
| Synonym | 3-phenoxy-1-propanol,1-propanol, 3-phenoxy,3-phenoxy 1-propanol,unii-515pbp1u72,propoxylated phenol,ph 4p,polypropylene glycol phenyl ether,3-phenoxypropanol,3-phenyloxypropanol,polypropylene glycol monophenyl ether |
| IUPAC Name | 3-phenoxypropan-1-ol |
| InChI Key | AWVDYRFLCAZENH-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |