Benzenoids
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Benzylamine 99.0+%, TCI America™
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CAS: 100-46-9 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00008106 InChI Key: WGQKYBSKWIADBV-UHFFFAOYSA-N Synonym: benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine PubChem CID: 7504 ChEBI: CHEBI:40538 IUPAC Name: phenylmethanamine SMILES: C1=CC=C(C=C1)CN
| PubChem CID | 7504 |
|---|---|
| CAS | 100-46-9 |
| Molecular Weight (g/mol) | 107.156 |
| ChEBI | CHEBI:40538 |
| MDL Number | MFCD00008106 |
| SMILES | C1=CC=C(C=C1)CN |
| Synonym | benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine |
| IUPAC Name | phenylmethanamine |
| InChI Key | WGQKYBSKWIADBV-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
alpha,alpha'-Dibromo-p-xylene 98.0+%, TCI America™
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CAS: 623-24-5 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 MDL Number: MFCD00000182 InChI Key: RBZMSGOBSOCYHR-UHFFFAOYSA-N Synonym: 1,4-bis bromomethyl benzene,p-xylylene dibromide,alpha,alpha'-dibromo-p-xylene,benzene, 1,4-bis bromomethyl,p-xylylene bromide,p-bromomethyl benzene,1,4-dibromomethylbenzene,p-bis bromomethyl benzene,1,4-bis-bromomethyl-benzene,ccris 1775 PubChem CID: 69335 IUPAC Name: 1,4-bis(bromomethyl)benzene SMILES: C1=CC(=CC=C1CBr)CBr
| PubChem CID | 69335 |
|---|---|
| CAS | 623-24-5 |
| Molecular Weight (g/mol) | 263.96 |
| MDL Number | MFCD00000182 |
| SMILES | C1=CC(=CC=C1CBr)CBr |
| Synonym | 1,4-bis bromomethyl benzene,p-xylylene dibromide,alpha,alpha'-dibromo-p-xylene,benzene, 1,4-bis bromomethyl,p-xylylene bromide,p-bromomethyl benzene,1,4-dibromomethylbenzene,p-bis bromomethyl benzene,1,4-bis-bromomethyl-benzene,ccris 1775 |
| IUPAC Name | 1,4-bis(bromomethyl)benzene |
| InChI Key | RBZMSGOBSOCYHR-UHFFFAOYSA-N |
| Molecular Formula | C8H8Br2 |
Bis(2-ethylhexyl) Phthalate 98.0+%, TCI America™
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CAS: 117-81-7 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.564 MDL Number: MFCD00009493 InChI Key: BJQHLKABXJIVAM-UHFFFAOYSA-N Synonym: dehp,bis 2-ethylhexyl phthalate,di 2-ethylhexyl phthalate,diethylhexyl phthalate,di-sec-octyl phthalate,octyl phthalate,fleximel,octoil PubChem CID: 8343 ChEBI: CHEBI:17747 IUPAC Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
| PubChem CID | 8343 |
|---|---|
| CAS | 117-81-7 |
| Molecular Weight (g/mol) | 390.564 |
| ChEBI | CHEBI:17747 |
| MDL Number | MFCD00009493 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC |
| Synonym | dehp,bis 2-ethylhexyl phthalate,di 2-ethylhexyl phthalate,diethylhexyl phthalate,di-sec-octyl phthalate,octyl phthalate,fleximel,octoil |
| IUPAC Name | bis(2-ethylhexyl) benzene-1,2-dicarboxylate |
| InChI Key | BJQHLKABXJIVAM-UHFFFAOYSA-N |
| Molecular Formula | C24H38O4 |
Butyl Benzoate 99.0+%, TCI America™
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CAS: 136-60-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00009439 InChI Key: XSIFPSYPOVKYCO-UHFFFAOYSA-N Synonym: n-butyl benzoate,benzoic acid, butyl ester,anthrapole az,benzoic acid butyl ester,dai cari xbn,benzoic acid n-butyl ester,butylester kyseliny benzoove,butylbenzoate,unii-1tgz0d0o8i,butylester kyseliny benzoove czech PubChem CID: 8698 IUPAC Name: butyl benzoate SMILES: CCCCOC(=O)C1=CC=CC=C1
| PubChem CID | 8698 |
|---|---|
| CAS | 136-60-7 |
| Molecular Weight (g/mol) | 178.23 |
| MDL Number | MFCD00009439 |
| SMILES | CCCCOC(=O)C1=CC=CC=C1 |
| Synonym | n-butyl benzoate,benzoic acid, butyl ester,anthrapole az,benzoic acid butyl ester,dai cari xbn,benzoic acid n-butyl ester,butylester kyseliny benzoove,butylbenzoate,unii-1tgz0d0o8i,butylester kyseliny benzoove czech |
| IUPAC Name | butyl benzoate |
| InChI Key | XSIFPSYPOVKYCO-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
4-Iodoanisole 99.0+%, TCI America™
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CAS: 696-62-8 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.036 MDL Number: MFCD00001056 InChI Key: SYSZENVIJHPFNL-UHFFFAOYSA-N Synonym: 4-iodoanisole,p-iodoanisole,benzene, 1-iodo-4-methoxy,isoform,4-methoxyiodobenzene,p-methoxyiodobenzene,anisole, p-iodo,4-iodomethoxybenzene,p-iodophenyl methyl ether,1-iodo-4-methoxy-benzene PubChem CID: 69676 IUPAC Name: 1-iodo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)I
| PubChem CID | 69676 |
|---|---|
| CAS | 696-62-8 |
| Molecular Weight (g/mol) | 234.036 |
| MDL Number | MFCD00001056 |
| SMILES | COC1=CC=C(C=C1)I |
| Synonym | 4-iodoanisole,p-iodoanisole,benzene, 1-iodo-4-methoxy,isoform,4-methoxyiodobenzene,p-methoxyiodobenzene,anisole, p-iodo,4-iodomethoxybenzene,p-iodophenyl methyl ether,1-iodo-4-methoxy-benzene |
| IUPAC Name | 1-iodo-4-methoxybenzene |
| InChI Key | SYSZENVIJHPFNL-UHFFFAOYSA-N |
| Molecular Formula | C7H7IO |
4-Iodobenzotrifluoride (stabilized with Copper chip) 97.0+%, TCI America™
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CAS: 455-13-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272.009 MDL Number: MFCD00039398 InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N Synonym: 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene PubChem CID: 67993 IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)I
| PubChem CID | 67993 |
|---|---|
| CAS | 455-13-0 |
| Molecular Weight (g/mol) | 272.009 |
| MDL Number | MFCD00039398 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)I |
| Synonym | 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene |
| IUPAC Name | 1-iodo-4-(trifluoromethyl)benzene |
| InChI Key | SKGRFPGOGCHDPC-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3I |
1,3-Bis(trifluoromethyl)benzene 98.0+%, TCI America™
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CAS: 402-31-3 Molecular Formula: C8H4F6 Molecular Weight (g/mol): 214.11 MDL Number: MFCD00000392 InChI Key: SJBBXFLOLUTGCW-UHFFFAOYSA-N Synonym: 1,3-bis trifluoromethyl benzene,benzene, 1,3-bis trifluoromethyl,1,3-di trifluoromethyl benzene,1,3-bis trifluoromethyl-benzene,m-bis trifluoromethyl benzene,m-ditrifluoromethylbenzene,hexafluoro-m-xylene,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene,mtf-tfm,a,a,a,a',a',a'-hexafluoro-m-xylene PubChem CID: 223106 IUPAC Name: 1,3-bis(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 223106 |
|---|---|
| CAS | 402-31-3 |
| Molecular Weight (g/mol) | 214.11 |
| MDL Number | MFCD00000392 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 1,3-bis trifluoromethyl benzene,benzene, 1,3-bis trifluoromethyl,1,3-di trifluoromethyl benzene,1,3-bis trifluoromethyl-benzene,m-bis trifluoromethyl benzene,m-ditrifluoromethylbenzene,hexafluoro-m-xylene,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene,mtf-tfm,a,a,a,a',a',a'-hexafluoro-m-xylene |
| IUPAC Name | 1,3-bis(trifluoromethyl)benzene |
| InChI Key | SJBBXFLOLUTGCW-UHFFFAOYSA-N |
| Molecular Formula | C8H4F6 |
Fluconazole 98.0+%, TCI America™
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CAS: 86386-73-4 Molecular Formula: C13H12F2N6O Molecular Weight (g/mol): 306.277 InChI Key: RFHAOTPXVQNOHP-UHFFFAOYSA-N Synonym: fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol PubChem CID: 3365 ChEBI: CHEBI:46081 IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
| PubChem CID | 3365 |
|---|---|
| CAS | 86386-73-4 |
| Molecular Weight (g/mol) | 306.277 |
| ChEBI | CHEBI:46081 |
| SMILES | C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O |
| Synonym | fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol |
| IUPAC Name | 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol |
| InChI Key | RFHAOTPXVQNOHP-UHFFFAOYSA-N |
| Molecular Formula | C13H12F2N6O |
3-Nitrophenylhydrazine Hydrochloride 98.0+%, TCI America™
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CAS: 636-95-3 Molecular Formula: C6H8ClN3O2 Molecular Weight (g/mol): 189.599 MDL Number: MFCD00012939 InChI Key: BKOYKMLGFFASBG-UHFFFAOYSA-N Synonym: 3-nitrophenylhydrazine hydrochloride,3-nitrophenyl hydrazine hydrochloride,3-nitrophenylhydrazinium 1+ chloride,hydrazine, 3-nitrophenyl-, monohydrochloride,m-nitrophenylhydrazine hydrochloride,pubchem20000,acmc-1b1e3,ksc491e2l,m-nitrophenylhydrazine hcl PubChem CID: 5464285 IUPAC Name: (3-nitrophenyl)hydrazine;hydrochloride SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NN.Cl
| PubChem CID | 5464285 |
|---|---|
| CAS | 636-95-3 |
| Molecular Weight (g/mol) | 189.599 |
| MDL Number | MFCD00012939 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NN.Cl |
| Synonym | 3-nitrophenylhydrazine hydrochloride,3-nitrophenyl hydrazine hydrochloride,3-nitrophenylhydrazinium 1+ chloride,hydrazine, 3-nitrophenyl-, monohydrochloride,m-nitrophenylhydrazine hydrochloride,pubchem20000,acmc-1b1e3,ksc491e2l,m-nitrophenylhydrazine hcl |
| IUPAC Name | (3-nitrophenyl)hydrazine;hydrochloride |
| InChI Key | BKOYKMLGFFASBG-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClN3O2 |
Tolylene-2,4-diisocyanate 98.0+%, TCI America™
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CAS: 584-84-9 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD00002011 InChI Key: DVKJHBMWWAPEIU-UHFFFAOYSA-N Synonym: 2,4-toluene diisocyanate,2,4-diisocyanatotoluene,tolylene-2,4-diisocyanate,toluene-2,4-diisocyanate,2,4-tolylene diisocyanate,toluene 2,4-diisocyanate,4-methyl-m-phenylene diisocyanate,tolylene diisocyanate,2,4-tdi,toluylene-2,4-diisocyanate PubChem CID: 11443 ChEBI: CHEBI:53556 IUPAC Name: 2,4-diisocyanato-1-methylbenzene SMILES: CC1=C(C=C(C=C1)N=C=O)N=C=O
| PubChem CID | 11443 |
|---|---|
| CAS | 584-84-9 |
| Molecular Weight (g/mol) | 174.159 |
| ChEBI | CHEBI:53556 |
| MDL Number | MFCD00002011 |
| SMILES | CC1=C(C=C(C=C1)N=C=O)N=C=O |
| Synonym | 2,4-toluene diisocyanate,2,4-diisocyanatotoluene,tolylene-2,4-diisocyanate,toluene-2,4-diisocyanate,2,4-tolylene diisocyanate,toluene 2,4-diisocyanate,4-methyl-m-phenylene diisocyanate,tolylene diisocyanate,2,4-tdi,toluylene-2,4-diisocyanate |
| IUPAC Name | 2,4-diisocyanato-1-methylbenzene |
| InChI Key | DVKJHBMWWAPEIU-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |
5-Nitroguaiacol 98.0+%, TCI America™
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CAS: 636-93-1 Molecular Formula: C7H7NO4 Molecular Weight (g/mol): 169.136 MDL Number: MFCD00015561 InChI Key: KXKCTSZYNCDFFG-UHFFFAOYSA-N Synonym: 5-nitroguaiacol,phenol, 2-methoxy-5-nitro,3-hydroxy-4-methoxynitrobenzene,2-methoxy-5-nitro-phenol,unii-e5t11i2jub,e5t11i2jub,2-hydroxy-4-nitroanisole,acmc-1b3lw,2-methoxy-5-nitro phenol,2-methyloxy-5-nitrophenol PubChem CID: 69471 ChEBI: CHEBI:81049 IUPAC Name: 2-methoxy-5-nitrophenol SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])O
| PubChem CID | 69471 |
|---|---|
| CAS | 636-93-1 |
| Molecular Weight (g/mol) | 169.136 |
| ChEBI | CHEBI:81049 |
| MDL Number | MFCD00015561 |
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])O |
| Synonym | 5-nitroguaiacol,phenol, 2-methoxy-5-nitro,3-hydroxy-4-methoxynitrobenzene,2-methoxy-5-nitro-phenol,unii-e5t11i2jub,e5t11i2jub,2-hydroxy-4-nitroanisole,acmc-1b3lw,2-methoxy-5-nitro phenol,2-methyloxy-5-nitrophenol |
| IUPAC Name | 2-methoxy-5-nitrophenol |
| InChI Key | KXKCTSZYNCDFFG-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO4 |
4-Benzylbiphenyl 99.0+%, TCI America™
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CAS: 613-42-3 Molecular Formula: C19H16 Molecular Weight (g/mol): 244.34 MDL Number: MFCD00041831 InChI Key: AGPLQTQFIZBOLI-UHFFFAOYSA-N Synonym: 4-benzylbiphenyl,4-phenylmethyl-1,1'-biphenyl,1,1'-biphenyl, 4-phenylmethyl,benzylbiphenyl,p-benzylbiphenyl,4-phenyldiphenylmethane,1-phenyl-4-benzylbenzene,1, 4-phenylmethyl,acmc-1bh4u,1-benzyl-4-phenyl-benzene PubChem CID: 69174 IUPAC Name: 4-benzyl-1,1'-biphenyl SMILES: C(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 69174 |
|---|---|
| CAS | 613-42-3 |
| Molecular Weight (g/mol) | 244.34 |
| MDL Number | MFCD00041831 |
| SMILES | C(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-benzylbiphenyl,4-phenylmethyl-1,1'-biphenyl,1,1'-biphenyl, 4-phenylmethyl,benzylbiphenyl,p-benzylbiphenyl,4-phenyldiphenylmethane,1-phenyl-4-benzylbenzene,1, 4-phenylmethyl,acmc-1bh4u,1-benzyl-4-phenyl-benzene |
| IUPAC Name | 4-benzyl-1,1'-biphenyl |
| InChI Key | AGPLQTQFIZBOLI-UHFFFAOYSA-N |
| Molecular Formula | C19H16 |
4-(Methylthio)toluene 98.0+%, TCI America™
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CAS: 623-13-2 Molecular Formula: C8H10S Molecular Weight (g/mol): 138.23 MDL Number: MFCD00008560 InChI Key: VHILIAIEEYLJNA-UHFFFAOYSA-N Synonym: methyl p-tolyl sulfide,4-methylthioanisole,4-methylthio toluene,p-methylthio toluene,benzene, 1-methyl-4-methylthio,p-tolyl methyl sulfide,p-methylphenyl methyl sulfide,methyl p-cresyl sulfide,p-cresyl methyl sulfide PubChem CID: 69334 IUPAC Name: 1-methyl-4-(methylsulfanyl)benzene SMILES: CSC1=CC=C(C)C=C1
| PubChem CID | 69334 |
|---|---|
| CAS | 623-13-2 |
| Molecular Weight (g/mol) | 138.23 |
| MDL Number | MFCD00008560 |
| SMILES | CSC1=CC=C(C)C=C1 |
| Synonym | methyl p-tolyl sulfide,4-methylthioanisole,4-methylthio toluene,p-methylthio toluene,benzene, 1-methyl-4-methylthio,p-tolyl methyl sulfide,p-methylphenyl methyl sulfide,methyl p-cresyl sulfide,p-cresyl methyl sulfide |
| IUPAC Name | 1-methyl-4-(methylsulfanyl)benzene |
| InChI Key | VHILIAIEEYLJNA-UHFFFAOYSA-N |
| Molecular Formula | C8H10S |
4-Methoxybenzyl Chloride (stabilized with Amylene) 98.0+%, TCI America™
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CAS: 824-94-2 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00000915 InChI Key: MOHYOXXOKFQHDC-UHFFFAOYSA-N Synonym: 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl PubChem CID: 69993 IUPAC Name: 1-(chloromethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CCl
| PubChem CID | 69993 |
|---|---|
| CAS | 824-94-2 |
| Molecular Weight (g/mol) | 156.609 |
| MDL Number | MFCD00000915 |
| SMILES | COC1=CC=C(C=C1)CCl |
| Synonym | 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl |
| IUPAC Name | 1-(chloromethyl)-4-methoxybenzene |
| InChI Key | MOHYOXXOKFQHDC-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
4-Aminophenol Hydrochloride 98.0+%, TCI America™
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CAS: 51-78-5 Molecular Formula: C6H8ClNO Molecular Weight (g/mol): 145.586 MDL Number: MFCD00012996 InChI Key: RVGOBWDGAVAVPJ-UHFFFAOYSA-N Synonym: 4-aminophenol hydrochloride,futramine p,p-aminophenol hydrochloride,4-hydroxyanilinium chloride,fouramine cp,fourrine p,durafur brown r,pelagol cp,peltol p,pelagol grey cp PubChem CID: 5828 IUPAC Name: 4-aminophenol;hydrochloride SMILES: C1=CC(=CC=C1N)O.Cl
| PubChem CID | 5828 |
|---|---|
| CAS | 51-78-5 |
| Molecular Weight (g/mol) | 145.586 |
| MDL Number | MFCD00012996 |
| SMILES | C1=CC(=CC=C1N)O.Cl |
| Synonym | 4-aminophenol hydrochloride,futramine p,p-aminophenol hydrochloride,4-hydroxyanilinium chloride,fouramine cp,fourrine p,durafur brown r,pelagol cp,peltol p,pelagol grey cp |
| IUPAC Name | 4-aminophenol;hydrochloride |
| InChI Key | RVGOBWDGAVAVPJ-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClNO |