Benzenoids
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2,3,6-Trifluorobenzoic Acid 98.0+%, TCI America™
CAS: 2358-29-4 Molecular Formula: C7H2F3O2 Molecular Weight (g/mol): 175.09 MDL Number: MFCD00002409 InChI Key: MGUPHQGQNHDGNK-UHFFFAOYSA-M Synonym: 2,5,6-trifluorobenzoic acid,2,3,6-trifluorobenzoicacid,2,3,6-trifluoro-benzoic acid,benzoic acid, 2,3,6-trifluoro,pubchem1344,intermediates-zcf02628,ksc494k2n,2,3,6-trifluoro benzoic acid,rarechem al bo 0267,2,3,6-trifluorobenzoic acid PubChem CID: 520062 IUPAC Name: 2,3,6-trifluorobenzoate SMILES: [O-]C(=O)C1=C(F)C=CC(F)=C1F
| PubChem CID | 520062 |
|---|---|
| CAS | 2358-29-4 |
| Molecular Weight (g/mol) | 175.09 |
| MDL Number | MFCD00002409 |
| SMILES | [O-]C(=O)C1=C(F)C=CC(F)=C1F |
| Synonym | 2,5,6-trifluorobenzoic acid,2,3,6-trifluorobenzoicacid,2,3,6-trifluoro-benzoic acid,benzoic acid, 2,3,6-trifluoro,pubchem1344,intermediates-zcf02628,ksc494k2n,2,3,6-trifluoro benzoic acid,rarechem al bo 0267,2,3,6-trifluorobenzoic acid |
| IUPAC Name | 2,3,6-trifluorobenzoate |
| InChI Key | MGUPHQGQNHDGNK-UHFFFAOYSA-M |
| Molecular Formula | C7H2F3O2 |
2-Chlorobenzoic Acid 98.0+%, TCI America™
CAS: 118-91-2 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002412 InChI Key: IKCLCGXPQILATA-UHFFFAOYSA-N Synonym: o-chlorobenzoic acid,benzoic acid, o-chloro,benzoic acid, 2-chloro,2-cba,kyselina o-chlorbenzoova,chlorobenzoic acid,ocba,benzoic acid, chloro,2-chloro-benzoic acid,chlorobenzoate PubChem CID: 8374 ChEBI: CHEBI:30793 IUPAC Name: 2-chlorobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)Cl
| PubChem CID | 8374 |
|---|---|
| CAS | 118-91-2 |
| Molecular Weight (g/mol) | 156.565 |
| ChEBI | CHEBI:30793 |
| MDL Number | MFCD00002412 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)Cl |
| Synonym | o-chlorobenzoic acid,benzoic acid, o-chloro,benzoic acid, 2-chloro,2-cba,kyselina o-chlorbenzoova,chlorobenzoic acid,ocba,benzoic acid, chloro,2-chloro-benzoic acid,chlorobenzoate |
| IUPAC Name | 2-chlorobenzoic acid |
| InChI Key | IKCLCGXPQILATA-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
2,4,6-Trichlorobenzoic Acid 98.0+%, TCI America™
CAS: 50-43-1 Molecular Formula: C7H3Cl3O2 Molecular Weight (g/mol): 225.449 MDL Number: MFCD00060699 InChI Key: RAFFVQBMVYYTQS-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f PubChem CID: 5764 IUPAC Name: 2,4,6-trichlorobenzoic acid SMILES: C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl
| PubChem CID | 5764 |
|---|---|
| CAS | 50-43-1 |
| Molecular Weight (g/mol) | 225.449 |
| MDL Number | MFCD00060699 |
| SMILES | C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl |
| Synonym | benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f |
| IUPAC Name | 2,4,6-trichlorobenzoic acid |
| InChI Key | RAFFVQBMVYYTQS-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O2 |
Methyl 3-Amino-2-fluorobenzoate 96.0+%, TCI America™
CAS: 1195768-18-3 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.155 MDL Number: MFCD12923265 InChI Key: UOYDNSRSUSNCKS-UHFFFAOYSA-N Synonym: 3-Amino-2-fluorobenzoic Acid Methyl Ester PubChem CID: 46311080 IUPAC Name: methyl 3-amino-2-fluorobenzoate SMILES: COC(=O)C1=C(C(=CC=C1)N)F
| PubChem CID | 46311080 |
|---|---|
| CAS | 1195768-18-3 |
| Molecular Weight (g/mol) | 169.155 |
| MDL Number | MFCD12923265 |
| SMILES | COC(=O)C1=C(C(=CC=C1)N)F |
| Synonym | 3-Amino-2-fluorobenzoic Acid Methyl Ester |
| IUPAC Name | methyl 3-amino-2-fluorobenzoate |
| InChI Key | UOYDNSRSUSNCKS-UHFFFAOYSA-N |
| Molecular Formula | C8H8FNO2 |
n-Octyl 4-Hydroxybenzoate 98.0+%, TCI America™
CAS: 1219-38-1 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 MDL Number: MFCD00016482 InChI Key: RIKCMEDSBFQFAL-UHFFFAOYSA-N Synonym: octylparaben,n-octyl 4-hydroxybenzoate,octyl paraben,octyl p-hydroxybenzoate,p-hydroxybenzoic acid octyl ester,benzoic acid, 4-hydroxy-, octyl ester,p-oxybenzoesaureoctylester,4-hydroxybenzoic acid n-octyl ester,unii-4uvk431k6b,p-oxybenzoesaureoctylester german PubChem CID: 14642 IUPAC Name: octyl 4-hydroxybenzoate SMILES: CCCCCCCCOC(=O)C1=CC=C(O)C=C1
| PubChem CID | 14642 |
|---|---|
| CAS | 1219-38-1 |
| Molecular Weight (g/mol) | 250.34 |
| MDL Number | MFCD00016482 |
| SMILES | CCCCCCCCOC(=O)C1=CC=C(O)C=C1 |
| Synonym | octylparaben,n-octyl 4-hydroxybenzoate,octyl paraben,octyl p-hydroxybenzoate,p-hydroxybenzoic acid octyl ester,benzoic acid, 4-hydroxy-, octyl ester,p-oxybenzoesaureoctylester,4-hydroxybenzoic acid n-octyl ester,unii-4uvk431k6b,p-oxybenzoesaureoctylester german |
| IUPAC Name | octyl 4-hydroxybenzoate |
| InChI Key | RIKCMEDSBFQFAL-UHFFFAOYSA-N |
| Molecular Formula | C15H22O3 |
4-Chloro-2-nitrotoluene, TCI America™
CAS: 89-59-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007215 InChI Key: SQFLFRQWPBEDHM-UHFFFAOYSA-N Synonym: 4-chloro-2-nitrotoluene,2-nitro-4-chlorotoluene,benzene, 4-chloro-1-methyl-2-nitro,4,2-chloronitrotoluene,p-chloro-o-nitrotoluene,toluene, 4-chloro-2-nitro,4-chloro-1-methyl-2-nitro-benzene,ccris 3116,4-chlor-2-nitrotoluol,pubchem18919 PubChem CID: 6975 IUPAC Name: 4-chloro-1-methyl-2-nitrobenzene SMILES: CC1=CC=C(Cl)C=C1[N+]([O-])=O
| PubChem CID | 6975 |
|---|---|
| CAS | 89-59-8 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007215 |
| SMILES | CC1=CC=C(Cl)C=C1[N+]([O-])=O |
| Synonym | 4-chloro-2-nitrotoluene,2-nitro-4-chlorotoluene,benzene, 4-chloro-1-methyl-2-nitro,4,2-chloronitrotoluene,p-chloro-o-nitrotoluene,toluene, 4-chloro-2-nitro,4-chloro-1-methyl-2-nitro-benzene,ccris 3116,4-chlor-2-nitrotoluol,pubchem18919 |
| IUPAC Name | 4-chloro-1-methyl-2-nitrobenzene |
| InChI Key | SQFLFRQWPBEDHM-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
4,5-Dichloro-2-nitrotoluene 98.0+%, TCI America™
CAS: 7494-45-3 Molecular Formula: C7H5Cl2NO2 Molecular Weight (g/mol): 206.022 InChI Key: AOTWCYSQDSKAQT-UHFFFAOYSA-N PubChem CID: 343795 IUPAC Name: 1,2-dichloro-4-methyl-5-nitrobenzene SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
| PubChem CID | 343795 |
|---|---|
| CAS | 7494-45-3 |
| Molecular Weight (g/mol) | 206.022 |
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl |
| IUPAC Name | 1,2-dichloro-4-methyl-5-nitrobenzene |
| InChI Key | AOTWCYSQDSKAQT-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl2NO2 |
| PubChem CID | 2773515 |
|---|---|
| CAS | 80500-27-2 |
| Molecular Weight (g/mol) | 180.954 |
| MDL Number | MFCD00191550 |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O |
| TSCA | No |
| IUPAC Name | (4-methyl-3-nitrophenyl)boronic acid |
| InChI Key | OASVXBRTNVFKFS-UHFFFAOYSA-N |
| Molecular Formula | C7H8BNO4 |
| Formula Weight | 180.95 |
2-Methyl-5-nitroaniline 98.0+%, TCI America™
CAS: 99-55-8 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007741 InChI Key: DSBIJCMXAIKKKI-UHFFFAOYSA-N Synonym: 2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp PubChem CID: 7444 ChEBI: CHEBI:66891 IUPAC Name: 2-methyl-5-nitroaniline SMILES: CC1=CC=C(C=C1N)[N+]([O-])=O
| PubChem CID | 7444 |
|---|---|
| CAS | 99-55-8 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:66891 |
| MDL Number | MFCD00007741 |
| SMILES | CC1=CC=C(C=C1N)[N+]([O-])=O |
| Synonym | 2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp |
| IUPAC Name | 2-methyl-5-nitroaniline |
| InChI Key | DSBIJCMXAIKKKI-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
2-Methyl-3-nitroaniline 98.0+%, TCI America™
CAS: 603-83-8 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007731 InChI Key: HFCFJYRLBAANKN-UHFFFAOYSA-N Synonym: 2-amino-6-nitrotoluene,3-nitro-o-toluidine,benzenamine, 2-methyl-3-nitro,o-toluidine, 3-nitro,2-methyl-3-nitro-aniline,1-amino-2-methyl-3-nitrobenzene,2-nitro-6-aminotoluene,2-methyl-3-nitrobenzenamine,2-methyl-3-nitro-phenylamine,2-methyl-3-nitrophenyl amine PubChem CID: 11783 IUPAC Name: 2-methyl-3-nitroaniline SMILES: CC1=C(N)C=CC=C1[N+]([O-])=O
| PubChem CID | 11783 |
|---|---|
| CAS | 603-83-8 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00007731 |
| SMILES | CC1=C(N)C=CC=C1[N+]([O-])=O |
| Synonym | 2-amino-6-nitrotoluene,3-nitro-o-toluidine,benzenamine, 2-methyl-3-nitro,o-toluidine, 3-nitro,2-methyl-3-nitro-aniline,1-amino-2-methyl-3-nitrobenzene,2-nitro-6-aminotoluene,2-methyl-3-nitrobenzenamine,2-methyl-3-nitro-phenylamine,2-methyl-3-nitrophenyl amine |
| IUPAC Name | 2-methyl-3-nitroaniline |
| InChI Key | HFCFJYRLBAANKN-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
2-Bromo-3-nitrotoluene 98.0+%, TCI America™
CAS: 41085-43-2 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00134555 InChI Key: GCAAVRIWNMTOKB-UHFFFAOYSA-N Synonym: 2-bromo-3-nitrotoluene,2-bromo-3-methylnitrobenzen,2-bromo-3-methylnitrobenzene,benzene, 2-bromo-1-methyl-3-nitro,2-bromo-1-methyl-3-nitro-benzene,2-brom-1-methyl-3-nitrobenzol,pubchem4531,acmc-1ajt4,ksc493s8t PubChem CID: 231828 IUPAC Name: 2-bromo-1-methyl-3-nitrobenzene SMILES: CC1=CC=CC(=C1Br)[N+]([O-])=O
| PubChem CID | 231828 |
|---|---|
| CAS | 41085-43-2 |
| Molecular Weight (g/mol) | 216.03 |
| MDL Number | MFCD00134555 |
| SMILES | CC1=CC=CC(=C1Br)[N+]([O-])=O |
| Synonym | 2-bromo-3-nitrotoluene,2-bromo-3-methylnitrobenzen,2-bromo-3-methylnitrobenzene,benzene, 2-bromo-1-methyl-3-nitro,2-bromo-1-methyl-3-nitro-benzene,2-brom-1-methyl-3-nitrobenzol,pubchem4531,acmc-1ajt4,ksc493s8t |
| IUPAC Name | 2-bromo-1-methyl-3-nitrobenzene |
| InChI Key | GCAAVRIWNMTOKB-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
Tribenzylamine 99.0+%, TCI America™
CAS: 620-40-6 Molecular Formula: C21H21N Molecular Weight (g/mol): 287.41 MDL Number: MFCD00004773 InChI Key: MXHTZQSKTCCMFG-UHFFFAOYSA-N Synonym: tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052 PubChem CID: 24321 IUPAC Name: tribenzylamine SMILES: C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 24321 |
|---|---|
| CAS | 620-40-6 |
| Molecular Weight (g/mol) | 287.41 |
| MDL Number | MFCD00004773 |
| SMILES | C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052 |
| IUPAC Name | tribenzylamine |
| InChI Key | MXHTZQSKTCCMFG-UHFFFAOYSA-N |
| Molecular Formula | C21H21N |
1-(2,3,4-Trimethoxybenzyl)piperazine Dihydrochloride 98.0+%, TCI America™
CAS: 13171-25-0 Molecular Formula: C14H24Cl2N2O3 Molecular Weight (g/mol): 339.257 MDL Number: MFCD00243086 InChI Key: VYFLPFGUVGMBEP-UHFFFAOYSA-N Synonym: trimetazidine dihydrochloride,1-2,3,4-trimethoxybenzyl piperazine dihydrochloride,kyurinett,trimetazidine hydrochloride,trimetajust,lubomail,vastarel,yosimilon,1-2,3,4-trimethoxyphenyl methyl piperazine dihydrochloride,trimetazidine 2hcl PubChem CID: 83201 IUPAC Name: 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride SMILES: COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl
| PubChem CID | 83201 |
|---|---|
| CAS | 13171-25-0 |
| Molecular Weight (g/mol) | 339.257 |
| MDL Number | MFCD00243086 |
| SMILES | COC1=C(C(=C(C=C1)CN2CCNCC2)OC)OC.Cl.Cl |
| Synonym | trimetazidine dihydrochloride,1-2,3,4-trimethoxybenzyl piperazine dihydrochloride,kyurinett,trimetazidine hydrochloride,trimetajust,lubomail,vastarel,yosimilon,1-2,3,4-trimethoxyphenyl methyl piperazine dihydrochloride,trimetazidine 2hcl |
| IUPAC Name | 1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride |
| InChI Key | VYFLPFGUVGMBEP-UHFFFAOYSA-N |
| Molecular Formula | C14H24Cl2N2O3 |
Phenoxybenzamine Hydrochloride 98.0+%, TCI America™
CAS: 63-92-3 Molecular Formula: C18H23Cl2NO Molecular Weight (g/mol): 340.288 MDL Number: MFCD00055152 InChI Key: VBCPVIWPDJVHAN-UHFFFAOYSA-N Synonym: phenoxybenzamine hydrochloride,dibenzyline,phenoxybenzamine hcl,n-benzyl-n-2-chloroethyl-1-phenoxypropan-2-amine hydrochloride,dibenzyline hydrochloride,phenoxybenzamine.hcl,bensylyt nen,phenoxybenzamine chloride,benzene methanamine PubChem CID: 5284441 ChEBI: CHEBI:8078 IUPAC Name: N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride SMILES: CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl
| PubChem CID | 5284441 |
|---|---|
| CAS | 63-92-3 |
| Molecular Weight (g/mol) | 340.288 |
| ChEBI | CHEBI:8078 |
| MDL Number | MFCD00055152 |
| SMILES | CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2.Cl |
| Synonym | phenoxybenzamine hydrochloride,dibenzyline,phenoxybenzamine hcl,n-benzyl-n-2-chloroethyl-1-phenoxypropan-2-amine hydrochloride,dibenzyline hydrochloride,phenoxybenzamine.hcl,bensylyt nen,phenoxybenzamine chloride,benzene methanamine |
| IUPAC Name | N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride |
| InChI Key | VBCPVIWPDJVHAN-UHFFFAOYSA-N |
| Molecular Formula | C18H23Cl2NO |
Benzyltriethylammonium Borohydride 90.0+%, TCI America™
CAS: 85874-45-9 Molecular Formula: C13H22BN Molecular Weight (g/mol): 203.136 MDL Number: MFCD00191785 InChI Key: HQGWCEJYXHFBSA-UHFFFAOYSA-N Synonym: benzyltriethylammonium borohydride,benzyltriethylazanium ? 1-boranuidylidene,n,n,n-triethyl-benzenemethanaminium tetrahydroborate PubChem CID: 10899792 IUPAC Name: benzyl(triethyl)azanium;boron(1-) SMILES: [B-].CC[N+](CC)(CC)CC1=CC=CC=C1
| PubChem CID | 10899792 |
|---|---|
| CAS | 85874-45-9 |
| Molecular Weight (g/mol) | 203.136 |
| MDL Number | MFCD00191785 |
| SMILES | [B-].CC[N+](CC)(CC)CC1=CC=CC=C1 |
| Synonym | benzyltriethylammonium borohydride,benzyltriethylazanium ? 1-boranuidylidene,n,n,n-triethyl-benzenemethanaminium tetrahydroborate |
| IUPAC Name | benzyl(triethyl)azanium;boron(1-) |
| InChI Key | HQGWCEJYXHFBSA-UHFFFAOYSA-N |
| Molecular Formula | C13H22BN |