Benzene and substituted derivatives
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Aluminon, ACS reagent
CAS: 569-58-4 Molecular Formula: C22H23N3O9 Molecular Weight (g/mol): 473.44 InChI Key: AIPNSHNRCQOTRI-UHFFFAOYSA-N Synonym: aluminon,ammonium aurintricarboxylate,aurintricarboxylic acid ammonium salt,aurintricarboxylic acid, acs PubChem CID: 54729869 ChEBI: CHEBI:87398 IUPAC Name: triazanium;5-[(3-carboxy-4-oxidophenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-oxidobenzoate SMILES: C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)[O-])C(=O)[O-])C(=O)O)[O-].[NH4+].[NH4+].[NH4+]
| PubChem CID | 54729869 |
|---|---|
| CAS | 569-58-4 |
| Molecular Weight (g/mol) | 473.44 |
| ChEBI | CHEBI:87398 |
| SMILES | C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)[O-])C(=O)[O-])C(=O)O)[O-].[NH4+].[NH4+].[NH4+] |
| Synonym | aluminon,ammonium aurintricarboxylate,aurintricarboxylic acid ammonium salt,aurintricarboxylic acid, acs |
| IUPAC Name | triazanium;5-[(3-carboxy-4-oxidophenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-oxidobenzoate |
| InChI Key | AIPNSHNRCQOTRI-UHFFFAOYSA-N |
| Molecular Formula | C22H23N3O9 |
Benzoic acid, 99.6%, ACS reagent
CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O
| PubChem CID | 243 |
|---|---|
| CAS | 65-85-0 |
| Molecular Weight (g/mol) | 122.12 |
| ChEBI | CHEBI:30746 |
| SMILES | C1=CC=C(C=C1)C(=O)O |
| Synonym | benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv |
| IUPAC Name | benzoic acid |
| InChI Key | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
| Molecular Weight (g/mol) | 407.99 |
|---|---|
| ChEBI | CHEBI:41688 |
| Grade | ACS Reagent |
| SMILES | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-] |
| Merck Index | 15,443 |
| InChI Key | ZXJXZNDDNMQXFV-UHFFFAOYSA-M |
| PubChem CID | 11057 |
| CAS | 90-94-8 |
| Health Hazard 3 | GHS P Statement IF SWALLOWED: rinse mouth. Do NOT induce vomiting. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,if present and easy to do. Continue rinsing. Immediately call a POISON CENTER |
| Health Hazard 2 | GHS H Statement Very toxic to aquatic life with long lasting effects. Harmful if swallowed. Causes serious eye damage. Suspected of causing cancer. |
| Solubility Information | Solubility in water: 16g/L (25°C). Other solubilities: soluble in chloroform,1g/10 mL alcohol,1g/15 mL glycerin,practically insoluble in ether |
| Health Hazard 1 | GHS Signal Word: Danger |
| Synonym | crystal violet,gentian violet,basic violet 3,methylrosaniline chloride,aniline violet,hexamethyl violet,gentiaverm,hexamethylpararosaniline chloride,pyoktanin,adergon |
| IUPAC Name | [4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride |
| Molecular Formula | C25H30ClN3 |
| EINECS Number | 208-953-6 |
| Formula Weight | 407.99 |
| Melting Point | 173°C |
4-Dimethylaminobenzaldehyde, ACS reagent
CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1
| PubChem CID | 7479 |
|---|---|
| CAS | 100-10-7 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00003381 |
| SMILES | CN(C)C1=CC=C(C=O)C=C1 |
| Synonym | 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal |
| IUPAC Name | 4-(dimethylamino)benzaldehyde |
| InChI Key | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
5-Sulfosalicylic acid dihydrate, ACS reagent
CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 IUPAC Name: 2-hydroxy-5-sulfobenzoic acid;dihydrate SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
| PubChem CID | 2723734 |
|---|---|
| CAS | 5965-83-3 |
| Molecular Weight (g/mol) | 250.27 |
| MDL Number | MFCD00007508,MFCD00149540 |
| SMILES | C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O |
| Synonym | 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd |
| IUPAC Name | 2-hydroxy-5-sulfobenzoic acid;dihydrate |
| InChI Key | NFYHZVWMQHQKRU-UHFFFAOYSA-N |
| Molecular Formula | C9H14O6S |
sym-Diphenylcarbazide, 98%, ACS reagent
CAS: 140-22-7 Molecular Formula: C13H14N4O Molecular Weight (g/mol): 242.28 InChI Key: KSPIHGBHKVISFI-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl PubChem CID: 8789 ChEBI: CHEBI:4641 IUPAC Name: 1,3-dianilinourea SMILES: C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
| PubChem CID | 8789 |
|---|---|
| CAS | 140-22-7 |
| Molecular Weight (g/mol) | 242.28 |
| ChEBI | CHEBI:4641 |
| SMILES | C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2 |
| Synonym | 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl |
| IUPAC Name | 1,3-dianilinourea |
| InChI Key | KSPIHGBHKVISFI-UHFFFAOYSA-N |
| Molecular Formula | C13H14N4O |
p-Toluenesulfonic acid monohydrate, ACS reagent
CAS: 6192-52-5 InChI Key: KJIFKLIQANRMOU-UHFFFAOYSA-N Synonym: p-toluenesulfonic acid monohydrate,4-methylbenzenesulfonic acid hydrate,4-methylbenzenesulfonic acid monohydrate,p-toluene sulfonic acid monohydrate,unii-3bto78gaff,benzenesulfonic acid, 4-methyl-, monohydrate,ptoluenesulfonic acid,p-toluenesulfonic acid, monohydrate,3bto78gaff,4-methylbenzene-1-sulfonic acid hydrate PubChem CID: 521998 IUPAC Name: 4-methylbenzenesulfonic acid;hydrate SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.O
| PubChem CID | 521998 |
|---|---|
| CAS | 6192-52-5 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.O |
| Synonym | p-toluenesulfonic acid monohydrate,4-methylbenzenesulfonic acid hydrate,4-methylbenzenesulfonic acid monohydrate,p-toluene sulfonic acid monohydrate,unii-3bto78gaff,benzenesulfonic acid, 4-methyl-, monohydrate,ptoluenesulfonic acid,p-toluenesulfonic acid, monohydrate,3bto78gaff,4-methylbenzene-1-sulfonic acid hydrate |
| IUPAC Name | 4-methylbenzenesulfonic acid;hydrate |
| InChI Key | KJIFKLIQANRMOU-UHFFFAOYSA-N |
Diphenylcarbazone-mercuric Reagent (I+II) EU Pharmacopoeia, Fisher Chemical™
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Polyanetholesulfonic Acid Sodium Salt, Reagent Grade, MP Biomedicals™
CAS: 52993-95-0 Molecular Formula: (C10H11O4SNa)n MDL Number: MFCD00148427 Synonym: sodium anethole,benzenesulfonic acid, methoxypropenyl-, sodium salt, homopolymer,sodium methoxypropenylbenzenesulonate homopolymer,benzenesulfonic acid, methoxy 1-propenyl-, sodium salt, homopolymer,sodium 1-methoxy-4-e-prop-1-enyl benzene,benzenesulfonic acid, methoxy 1-propen-1-yl-, sodium salt 1:1 , homopolymer
| CAS | 52993-95-0 |
|---|---|
| MDL Number | MFCD00148427 |
| Synonym | sodium anethole,benzenesulfonic acid, methoxypropenyl-, sodium salt, homopolymer,sodium methoxypropenylbenzenesulonate homopolymer,benzenesulfonic acid, methoxy 1-propenyl-, sodium salt, homopolymer,sodium 1-methoxy-4-e-prop-1-enyl benzene,benzenesulfonic acid, methoxy 1-propen-1-yl-, sodium salt 1:1 , homopolymer |
| Molecular Formula | (C10H11O4SNa)n |
p-Nitro Blue Tetrazolium Chloride, Molecular Biology Reagent Grade, MP Biomedicals™
CAS: 298-83-9 Molecular Formula: C40H30Cl2N10O6 Molecular Weight (g/mol): 817.644 MDL Number: MFCD00012159 InChI Key: FSVCQIDHPKZJSO-UHFFFAOYSA-L Synonym: nitrotetrazolium blue chloride,nitro bt,nitro blue tetrazolium,nbt,nitro blue tetrazolium chloride,p-nitrotetrazolium blue,nitrotetrazolium blue,nitroblue tetrazolium chloride,p-nitro blue tetrazolium chloride,nitro tetrazolium bt PubChem CID: 9281 ChEBI: CHEBI:9505 IUPAC Name: 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium;dichloride SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-]
| PubChem CID | 9281 |
|---|---|
| CAS | 298-83-9 |
| Molecular Weight (g/mol) | 817.644 |
| ChEBI | CHEBI:9505 |
| MDL Number | MFCD00012159 |
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.[Cl-].[Cl-] |
| Synonym | nitrotetrazolium blue chloride,nitro bt,nitro blue tetrazolium,nbt,nitro blue tetrazolium chloride,p-nitrotetrazolium blue,nitrotetrazolium blue,nitroblue tetrazolium chloride,p-nitro blue tetrazolium chloride,nitro tetrazolium bt |
| IUPAC Name | 2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium;dichloride |
| InChI Key | FSVCQIDHPKZJSO-UHFFFAOYSA-L |
| Molecular Formula | C40H30Cl2N10O6 |
Benzyl alcohol, Puriss. p.a., ACS reagent, ≥99.0% (GC), Solstice
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| PubChem CID | 244 |
|---|---|
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |