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Diphenylmethanes

Organic compounds that consist of two phenyl rings bonded to the same carbon atom; the diphenylmethyl group is also known as benzhydryl.

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1

Tetrabromophenolphthalein ethyl ester potassium salt

CAS: 62637-91-6 Molecular Formula: C22H13Br4KO4 Molecular Weight (g/mol): 700.06 MDL Number: MFCD00011662 InChI Key: WCIQBKUTYDIBJC-UHFFFAOYSA-M Synonym: potassium tetrabromophenolphthalein ethyl ester,tetrabromophenolphthalein ethyl ester potassium salt,potassium 2,6-dibromo-4-3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene 2-ethoxycarbonyl phenyl methyl phenolate,potassium 2,6-dibromo-4-3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene 2-ethoxycarbonyl phenyl methyl benzenolate,dj-2,benzoic acid, 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-, ethyl ester, potassium salt,benzoic acid, 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-, ethyl ester, potassium salt 1:1,tetrabromophenolphthalein ethyl ester potassium,3',3,5',5-tetrabromophenolphthalein ethyl ester potassium salt PubChem CID: 23689366 IUPAC Name: potassium;2,6-dibromo-4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-(2-ethoxycarbonylphenyl)methyl]phenolate SMILES: [K+].CCOC(=O)C1=CC=CC=C1C(C1=CC(Br)=C([O-])C(Br)=C1)=C1C=C(Br)C(=O)C(Br)=C1

PubChem CID 23689366
CAS 62637-91-6
Molecular Weight (g/mol) 700.06
MDL Number MFCD00011662
SMILES [K+].CCOC(=O)C1=CC=CC=C1C(C1=CC(Br)=C([O-])C(Br)=C1)=C1C=C(Br)C(=O)C(Br)=C1
Synonym potassium tetrabromophenolphthalein ethyl ester,tetrabromophenolphthalein ethyl ester potassium salt,potassium 2,6-dibromo-4-3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene 2-ethoxycarbonyl phenyl methyl phenolate,potassium 2,6-dibromo-4-3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene 2-ethoxycarbonyl phenyl methyl benzenolate,dj-2,benzoic acid, 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-, ethyl ester, potassium salt,benzoic acid, 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-, ethyl ester, potassium salt 1:1,tetrabromophenolphthalein ethyl ester potassium,3',3,5',5-tetrabromophenolphthalein ethyl ester potassium salt
IUPAC Name potassium;2,6-dibromo-4-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)-(2-ethoxycarbonylphenyl)methyl]phenolate
InChI Key WCIQBKUTYDIBJC-UHFFFAOYSA-M
Molecular Formula C22H13Br4KO4
2

Thermo Scientific Chemicals Acid Fuchsin sodium salt

CAS: 3244-88-0 Molecular Formula: C20H19N3Na2O9S3 Molecular Weight (g/mol): 587.544 MDL Number: MFCD00013286 InChI Key: VCEFFPMSOGDMJX-UHFFFAOYSA-N Synonym: acid fuchsin,acidal fuchsine,acid fuchsine,acidal magenta,fuchsine acid,fuchsin acid,p-fuchsine acid,acid fuchsine n,acid fuchsine o,acid fuchsine s PubChem CID: 131852436 IUPAC Name: 3-[bis(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonic acid;sodium SMILES: CC1=CC(=C(C2=CC(=C(C=C2)N)S(=O)(=O)O)C3=CC(=C(C=C3)N)S(=O)(=O)O)C=C(C1=N)S(=O)(=O)O.[Na].[Na]

PubChem CID 131852436
CAS 3244-88-0
Molecular Weight (g/mol) 587.544
MDL Number MFCD00013286
SMILES CC1=CC(=C(C2=CC(=C(C=C2)N)S(=O)(=O)O)C3=CC(=C(C=C3)N)S(=O)(=O)O)C=C(C1=N)S(=O)(=O)O.[Na].[Na]
Synonym acid fuchsin,acidal fuchsine,acid fuchsine,acidal magenta,fuchsine acid,fuchsin acid,p-fuchsine acid,acid fuchsine n,acid fuchsine o,acid fuchsine s
IUPAC Name 3-[bis(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonic acid;sodium
InChI Key VCEFFPMSOGDMJX-UHFFFAOYSA-N
Molecular Formula C20H19N3Na2O9S3
3

Acid fuchsin sodium salt, MP Biomedicals™

CAS: 3244-88-0 Molecular Formula: C20H19N3Na2O9S3 Molecular Weight (g/mol): 587.544 InChI Key: VCEFFPMSOGDMJX-UHFFFAOYSA-N Synonym: acid fuchsin,acidal fuchsine,acid fuchsine,acidal magenta,fuchsine acid,fuchsin acid,p-fuchsine acid,acid fuchsine n,acid fuchsine o,acid fuchsine s PubChem CID: 131852436 IUPAC Name: 3-[bis(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonic acid;sodium SMILES: CC1=CC(=C(C2=CC(=C(C=C2)N)S(=O)(=O)O)C3=CC(=C(C=C3)N)S(=O)(=O)O)C=C(C1=N)S(=O)(=O)O.[Na].[Na]

PubChem CID 131852436
CAS 3244-88-0
Molecular Weight (g/mol) 587.544
SMILES CC1=CC(=C(C2=CC(=C(C=C2)N)S(=O)(=O)O)C3=CC(=C(C=C3)N)S(=O)(=O)O)C=C(C1=N)S(=O)(=O)O.[Na].[Na]
Synonym acid fuchsin,acidal fuchsine,acid fuchsine,acidal magenta,fuchsine acid,fuchsin acid,p-fuchsine acid,acid fuchsine n,acid fuchsine o,acid fuchsine s
IUPAC Name 3-[bis(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonic acid;sodium
InChI Key VCEFFPMSOGDMJX-UHFFFAOYSA-N
Molecular Formula C20H19N3Na2O9S3
5

Tofenacin Hydrochloride Salt, TRC

CAS: 10488-36-5 Molecular Formula: C17 H21 N O . Cl H Molecular Weight (g/mol): 291.82 Synonym: N-Desmethylorphenadrine Hydrochloride IUPAC Name: N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride SMILES: Cl.CNCCOC(c1ccccc1)c2ccccc2C

CAS 10488-36-5
Molecular Weight (g/mol) 291.82
SMILES Cl.CNCCOC(c1ccccc1)c2ccccc2C
Synonym N-Desmethylorphenadrine Hydrochloride
IUPAC Name N-methyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;hydrochloride
Molecular Formula C17 H21 N O . Cl H
6

Maropitant Citrate Salt, TRC

CAS: 862543-54-2 Molecular Formula: C32 H40 N2 O . C6 H8 O7 Molecular Weight (g/mol): 660.8 Synonym: (2S-cis)-N-[[5-(1,1-Dimethylethyl)-2-methoxyphenyl]methyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine Citrate Salt,(2S,3S)-2-Benzhydryl-N-(5-tert-butyl-2-methoxybenzyl)quinuclidin-3-amine Citrate Salt,Cerenia SMILES: CC(C)(C)C1=CC(=C(C=C1)OC)CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

CAS 862543-54-2
Molecular Weight (g/mol) 660.8
SMILES CC(C)(C)C1=CC(=C(C=C1)OC)CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Synonym (2S-cis)-N-[[5-(1,1-Dimethylethyl)-2-methoxyphenyl]methyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine Citrate Salt,(2S,3S)-2-Benzhydryl-N-(5-tert-butyl-2-methoxybenzyl)quinuclidin-3-amine Citrate Salt,Cerenia
Molecular Formula C32 H40 N2 O . C6 H8 O7
7

Orphenadrine Citrate Salt, TRC

CAS: 4682-36-4 Molecular Formula: C18 H23 N O . C6 H8 O7 Molecular Weight (g/mol): 461.5 Synonym: Orphenadrine citrate,(RS)-N,N-Dimethyl-2-[(2-methylphenyl)phenylmethoxy]ethanamine dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: CN(C)CCOC(c1ccccc1)c2ccccc2C.OC(=O)CC(O)(CC(=O)O)C(=O)O

CAS 4682-36-4
Molecular Weight (g/mol) 461.5
SMILES CN(C)CCOC(c1ccccc1)c2ccccc2C.OC(=O)CC(O)(CC(=O)O)C(=O)O
Synonym Orphenadrine citrate,(RS)-N,N-Dimethyl-2-[(2-methylphenyl)phenylmethoxy]ethanamine dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
IUPAC Name N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular Formula C18 H23 N O . C6 H8 O7
8

Bisphenol A Monosulfate Sodium Salt, TRC

CAS: 847696-37-1 Molecular Formula: C15H15NaO5S Molecular Weight (g/mol): 330.33 Synonym: Phenol, 4-[1-(4-hydroxyphenyl)-1-methylethyl]-, 1-(hydrogen sulfate), sodium salt (1:1) (ACI),Phenol, 4-[1-(4-hydroxyphenyl)-1-methylethyl]-, 1-(hydrogen sulfate), monosodium salt (9CI),Sodium 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl sulfate (1:1) (ACI),Bisphenol A monosulfate sodium salt IUPAC Name: sodium;[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] sulfate SMILES: OC(C=C1)=CC=C1C(C)(C)C2=CC=C(OS(=O)(O[Na])=O)C=C2

CAS 847696-37-1
Molecular Weight (g/mol) 330.33
SMILES OC(C=C1)=CC=C1C(C)(C)C2=CC=C(OS(=O)(O[Na])=O)C=C2
Synonym Phenol, 4-[1-(4-hydroxyphenyl)-1-methylethyl]-, 1-(hydrogen sulfate), sodium salt (1:1) (ACI),Phenol, 4-[1-(4-hydroxyphenyl)-1-methylethyl]-, 1-(hydrogen sulfate), monosodium salt (9CI),Sodium 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl sulfate (1:1) (ACI),Bisphenol A monosulfate sodium salt
IUPAC Name sodium;[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] sulfate
Molecular Formula C15H15NaO5S
9

Bisphenol A Bissulfate Disodium Salt, TRC

CAS: 10040-44-5 Molecular Formula: C15 H14 O8 S2 . 2 Na Molecular Weight (g/mol): 432.38 Synonym: Phenol, 4,4'-(1-methylethylidene)bis-, 1,1'-bis(hydrogen sulfate), sodium salt (1:2),Phenol, 4,4'-(1-methylethylidene)bis-, bis(hydrogen sulfate), disodium salt (9CI),Phenol, 4,4'-isopropylidenedi-, bis(hydrogen sulfate) disodium salt (8CI),Sodium S,S'-[(1-methylethylidene)di-4,1-phenylene] disulfate (2:1),Bisphenol A Bissulfate Disodium Salt IUPAC Name: disodium;[4-[2-(4-sulfonatooxyphenyl)propan-2-yl]phenyl] sulfate SMILES: [Na+].[Na+].CC(C)(c1ccc(OS(=O)(=O)[O-])cc1)c2ccc(OS(=O)(=O)[O-])cc2

CAS 10040-44-5
Molecular Weight (g/mol) 432.38
SMILES [Na+].[Na+].CC(C)(c1ccc(OS(=O)(=O)[O-])cc1)c2ccc(OS(=O)(=O)[O-])cc2
Synonym Phenol, 4,4'-(1-methylethylidene)bis-, 1,1'-bis(hydrogen sulfate), sodium salt (1:2),Phenol, 4,4'-(1-methylethylidene)bis-, bis(hydrogen sulfate), disodium salt (9CI),Phenol, 4,4'-isopropylidenedi-, bis(hydrogen sulfate) disodium salt (8CI),Sodium S,S'-[(1-methylethylidene)di-4,1-phenylene] disulfate (2:1),Bisphenol A Bissulfate Disodium Salt
IUPAC Name disodium;[4-[2-(4-sulfonatooxyphenyl)propan-2-yl]phenyl] sulfate
Molecular Formula C15 H14 O8 S2 . 2 Na
10

4-Desulfo-4-hydroxy Picosulfate Monosodium Salt, TRC

CAS: 32500-19-9 Molecular Formula: C18 H14 N O5 S . Na Molecular Weight (g/mol): 379.36 Synonym: 4-[(RS)-(4-Hydroxyphenyl)(pyridin-2-yl)methyl]phenyl Sodium Sulphate,Sodium Picosulfate Imp. A (EP),4-[(Pyridin-2-yl)(4-hydroxyphenyl)methyl]phenyl Sodium Sulphate IUPAC Name: sodium;[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenyl] sulfate SMILES: [Na+].Oc1ccc(cc1)C(c2ccc(OS(=O)(=O)[O-])cc2)c3ccccn3

CAS 32500-19-9
Molecular Weight (g/mol) 379.36
SMILES [Na+].Oc1ccc(cc1)C(c2ccc(OS(=O)(=O)[O-])cc2)c3ccccn3
Synonym 4-[(RS)-(4-Hydroxyphenyl)(pyridin-2-yl)methyl]phenyl Sodium Sulphate,Sodium Picosulfate Imp. A (EP),4-[(Pyridin-2-yl)(4-hydroxyphenyl)methyl]phenyl Sodium Sulphate
IUPAC Name sodium;[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenyl] sulfate
Molecular Formula C18 H14 N O5 S . Na
11

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+]

EDGE
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
12

Aluminon, ACS

CAS: 569-58-4 Molecular Formula: C22H23N3O9 Molecular Weight (g/mol): 473.438 MDL Number: MFCD00040925 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) 473.438
ChEBI CHEBI:87398
MDL Number MFCD00040925
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