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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Acylaminobenzoic acid and derivatives (1)
Aminobenzoic acids and derivatives (47)
Aminotoluenes (8)
Anilides (5)
Aniline and substituted anilines (13)
Benzamides (16)
Benzenesulfonamides (37)
Benzenesulfonic acids and derivatives (1)
Benzenesulfonyl compounds (17)
Benzoic acid esters (2)
Benzoic acids (11)
Benzophenones (9)
Benzoyl derivatives (49)
Biphenols (1)
Biphenyls and derivatives (12)
Bromobenzenes (18)
Cumenes (2)
Diphenylethers (6)
Diphenylmethanes (18)
Fluorobenzenes (47)
Iodobenzenes (23)
Methoxybenzenes (5)
Methoxybenzoic acids and derivatives (32)
Nitrobenzenes (9)
Nitrobenzoic acids and derivatives (48)
Nitrotoluenes (10)
N-phenylthioureas (9)
N-phenylureas (3)
Phenoxy compounds (16)
Phenoxyacetic acid derivatives (9)
Phenylacetaldehydes (1)
Phenylacetamides (3)
Phenylcarbamic acid esters (10)
Phenylhydrazines (23)
Phenylmethylamines (14)
Phenylphosphines and derivatives (31)
Phenylpropanes (15)
Phthalic acid and derivatives (9)
Styrenes (15)
Sulfanilides (13)
Sulfanylbenzoic acids and derivatives (2)
Terphenyls (3)
Tosyl compounds (5)
Trifluoromethylbenzenes (32)
Hydroxybenzoic Acid Derivatives (116)
Benzyl Derivatives (40)

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Keyword Search:
1 – 15 of 396 results
2

rac Cetirizine N-Oxide >90% by HPLC(Mixture of Diastereomers), TRC

CAS: 1076199-80-8 Molecular Formula: C21 H25 Cl N2 O4 Molecular Weight (g/mol): 404.89 Synonym: Cetirizine N-Oxide,2-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-oxido-1-piperazinyl]ethoxy]acetic acid,Cetirizine-N-oxide IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-oxidopiperazin-1-ium-1-yl]ethoxy]acetic acid SMILES: OC(=O)COCC[N+]1([O-])CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3

CAS 1076199-80-8
Molecular Weight (g/mol) 404.89
SMILES OC(=O)COCC[N+]1([O-])CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3
Synonym Cetirizine N-Oxide,2-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-oxido-1-piperazinyl]ethoxy]acetic acid,Cetirizine-N-oxide
IUPAC Name 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-oxidopiperazin-1-ium-1-yl]ethoxy]acetic acid
Molecular Formula C21 H25 Cl N2 O4
3
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Thermo Scientific Chemicals Furosemide, 97+%

CAS: 54-31-9 Molecular Formula: C12H11ClN2O5S Molecular Weight (g/mol): 330.74 InChI Key: ZZUFCTLCJUWOSV-UHFFFAOYSA-N Synonym: furosemide,frusemide,lasix,furosemid,furanthril,errolon,fusid,aisemide,beronald,desdemin PubChem CID: 3440 ChEBI: CHEBI:47426 IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

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PubChem CID 3440
CAS 54-31-9
Molecular Weight (g/mol) 330.74
ChEBI CHEBI:47426
SMILES C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl
Synonym furosemide,frusemide,lasix,furosemid,furanthril,errolon,fusid,aisemide,beronald,desdemin
IUPAC Name 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid
InChI Key ZZUFCTLCJUWOSV-UHFFFAOYSA-N
Molecular Formula C12H11ClN2O5S
4
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Hippuric acid, 98%

CAS: 495-69-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.18 MDL Number: MFCD00002692 InChI Key: QIAFMBKCNZACKA-UHFFFAOYSA-N Synonym: hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure PubChem CID: 464 ChEBI: CHEBI:18089 SMILES: OC(=O)CNC(=O)C1=CC=CC=C1

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PubChem CID 464
CAS 495-69-2
Molecular Weight (g/mol) 179.18
ChEBI CHEBI:18089
MDL Number MFCD00002692
SMILES OC(=O)CNC(=O)C1=CC=CC=C1
Synonym hippuric acid,n-benzoylglycine,glycine, n-benzoyl,benzoylglycine,benzamidoacetic acid,benzoylaminoacetic acid,hippurate,hippursaeure,phenylcarbonylaminoacetic acid,benzamidoessigsaeure
InChI Key QIAFMBKCNZACKA-UHFFFAOYSA-N
Molecular Formula C9H9NO3
5

Gliclazide

CAS: 21187-98-4 Molecular Formula: C15H21N3O3S Molecular Weight (g/mol): 323.41 MDL Number: MFCD00409893 InChI Key: BOVGTQGAOIONJV-UHFFFAOYNA-N Synonym: gliclazide,glimicron,diamicron,nordialex,diaikron,gliclazida,gliklazid,glyclazide,gliclazidum inn-latin,gliclazida inn-spanish PubChem CID: 3475 ChEBI: CHEBI:31654 IUPAC Name: 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylurea SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1

PubChem CID 3475
CAS 21187-98-4
Molecular Weight (g/mol) 323.41
ChEBI CHEBI:31654
MDL Number MFCD00409893
SMILES CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1
Synonym gliclazide,glimicron,diamicron,nordialex,diaikron,gliclazida,gliklazid,glyclazide,gliclazidum inn-latin,gliclazida inn-spanish
IUPAC Name 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(4-methylphenyl)sulfonylurea
InChI Key BOVGTQGAOIONJV-UHFFFAOYNA-N
Molecular Formula C15H21N3O3S
6

Diflunisal, Thermo Scientific Chemicals

CAS: 22494-42-4 Molecular Formula: C13H8F2O3 Molecular Weight (g/mol): 250.20 MDL Number: MFCD00057834 InChI Key: HUPFGZXOMWLGNK-UHFFFAOYSA-N Synonym: diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum PubChem CID: 3059 ChEBI: CHEBI:39669 IUPAC Name: 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F

PubChem CID 3059
CAS 22494-42-4
Molecular Weight (g/mol) 250.20
ChEBI CHEBI:39669
MDL Number MFCD00057834
SMILES OC(=O)C1=CC(=CC=C1O)C1=CC=C(F)C=C1F
Synonym diflunisal,dolobid,dolobis,fluniget,flovacil,fluodonil,adomal,flustar,5-2,4-difluorophenyl salicylic acid,diflunisalum
IUPAC Name 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
InChI Key HUPFGZXOMWLGNK-UHFFFAOYSA-N
Molecular Formula C13H8F2O3
7
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Anthranilamide, 99+%

CAS: 88-68-6 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.15 MDL Number: MFCD00007981 InChI Key: PXBFMLJZNCDSMP-UHFFFAOYSA-N Synonym: anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van PubChem CID: 6942 IUPAC Name: 2-aminobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)N

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PubChem CID 6942
CAS 88-68-6
Molecular Weight (g/mol) 136.15
MDL Number MFCD00007981
SMILES C1=CC=C(C(=C1)C(=O)N)N
Synonym anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van
IUPAC Name 2-aminobenzamide
InChI Key PXBFMLJZNCDSMP-UHFFFAOYSA-N
Molecular Formula C7H8N2O
8
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Triphenylphosphine oxide, 99%

CAS: 791-28-6 Molecular Formula: C18H15OP Molecular Weight (g/mol): 278.29 MDL Number: MFCD00002080 MFCD03458802 InChI Key: FIQMHBFVRAXMOP-UHFFFAOYSA-N Synonym: triphenylphosphine oxide,phosphine oxide, triphenyl,triphenyl phosphorus oxide,triphenyl phosphine oxide,triphenylphosphane oxide,tppo,triphenylphosphineoxide,ph3po,diphenylphosphoroso benzene,triphenylphosphanoxid PubChem CID: 13097 ChEBI: CHEBI:36601 IUPAC Name: diphenylphosphorylbenzene SMILES: O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

EDGE
PubChem CID 13097
CAS 791-28-6
Molecular Weight (g/mol) 278.29
ChEBI CHEBI:36601
MDL Number MFCD00002080 MFCD03458802
SMILES O=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym triphenylphosphine oxide,phosphine oxide, triphenyl,triphenyl phosphorus oxide,triphenyl phosphine oxide,triphenylphosphane oxide,tppo,triphenylphosphineoxide,ph3po,diphenylphosphoroso benzene,triphenylphosphanoxid
IUPAC Name diphenylphosphorylbenzene
InChI Key FIQMHBFVRAXMOP-UHFFFAOYSA-N
Molecular Formula C18H15OP
9
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1,6-Diphenyl-1,3,5-hexatriene, 95%

CAS: 1720-32-7 Molecular Formula: C18H16 Molecular Weight (g/mol): 232.32 MDL Number: MFCD00004793 InChI Key: BOBLSBAZCVBABY-WPWUJOAOSA-N Synonym: 1,6-diphenyl-1,3,5-hexatriene,1,6-diphenylhexatriene,diphenylhexatriene,dicinnamyl,1,6-diphenylhexa-1,3,5-triene,benzene, 1,1'-1,3,5-hexatriene-1,6-diyl bis,1,3,5-hexatriene, 1,6-diphenyl,1e,3e,5e-6-phenylhexa-1,3,5-trienyl benzene,1,1'-1e,3e,5e-hexa-1,3,5-triene-1,6-diyldibenzene PubChem CID: 5376733 ChEBI: CHEBI:51594 IUPAC Name: [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene SMILES: C1=CC=C(C=C1)C=CC=CC=CC2=CC=CC=C2

EDGE
PubChem CID 5376733
CAS 1720-32-7
Molecular Weight (g/mol) 232.32
ChEBI CHEBI:51594
MDL Number MFCD00004793
SMILES C1=CC=C(C=C1)C=CC=CC=CC2=CC=CC=C2
Synonym 1,6-diphenyl-1,3,5-hexatriene,1,6-diphenylhexatriene,diphenylhexatriene,dicinnamyl,1,6-diphenylhexa-1,3,5-triene,benzene, 1,1'-1,3,5-hexatriene-1,6-diyl bis,1,3,5-hexatriene, 1,6-diphenyl,1e,3e,5e-6-phenylhexa-1,3,5-trienyl benzene,1,1'-1e,3e,5e-hexa-1,3,5-triene-1,6-diyldibenzene
IUPAC Name [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
InChI Key BOBLSBAZCVBABY-WPWUJOAOSA-N
Molecular Formula C18H16
10

(3S,4S)-(+)-1-Benzyl-3,4-pyrrolidindiol, 97%, Thermo Scientific Chemicals

CAS: 90365-74-5 MDL Number: MFCD01073893 InChI Key: QJRIUWQPJVPYSO-QWRGUYRKSA-N Synonym: 3s,4s-1-benzylpyrrolidine-3,4-diol,3s,4s-+-1-benzyl-3,4-pyrrolidindiol,3s,4s-+-1-benzyl-3,4-pyrrolidinediol,3s,4s-1-benzyl-3,4-pyrrolidinediol,3s,4s---1-benzyl-3,4-pyrrolidindiol,3,4-pyrrolidinediol, 1-phenylmethyl-, 3s,4s,pubchem18732,3s,4s-1-benzyl-3,4-dihydroxypyrrolidine,3s,4s-1-phenylmethyl-3,4-pyrrolidinediol,3s,4s-+-1-benzyl-3,4-pyrrolidinediol sum of enantiomers, hplc PubChem CID: 2734057 IUPAC Name: (3S,4S)-1-benzylpyrrolidine-3,4-diol SMILES: C1C(C(CN1CC2=CC=CC=C2)O)O

PubChem CID 2734057
CAS 90365-74-5
MDL Number MFCD01073893
SMILES C1C(C(CN1CC2=CC=CC=C2)O)O
Synonym 3s,4s-1-benzylpyrrolidine-3,4-diol,3s,4s-+-1-benzyl-3,4-pyrrolidindiol,3s,4s-+-1-benzyl-3,4-pyrrolidinediol,3s,4s-1-benzyl-3,4-pyrrolidinediol,3s,4s---1-benzyl-3,4-pyrrolidindiol,3,4-pyrrolidinediol, 1-phenylmethyl-, 3s,4s,pubchem18732,3s,4s-1-benzyl-3,4-dihydroxypyrrolidine,3s,4s-1-phenylmethyl-3,4-pyrrolidinediol,3s,4s-+-1-benzyl-3,4-pyrrolidinediol sum of enantiomers, hplc
IUPAC Name (3S,4S)-1-benzylpyrrolidine-3,4-diol
InChI Key QJRIUWQPJVPYSO-QWRGUYRKSA-N
11
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Triphenyl phosphite, 99%

CAS: 101-02-0 Molecular Formula: C18H15O3P Molecular Weight (g/mol): 310.28 InChI Key: HVLLSGMXQDNUAL-UHFFFAOYSA-N Synonym: phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310 PubChem CID: 7540 IUPAC Name: triphenyl phosphite SMILES: C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3

PubChem CID 7540
CAS 101-02-0
Molecular Weight (g/mol) 310.28
SMILES C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3
Synonym phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310
IUPAC Name triphenyl phosphite
InChI Key HVLLSGMXQDNUAL-UHFFFAOYSA-N
Molecular Formula C18H15O3P
12

Triphenyl phosphite, 97%

CAS: 101-02-0 Molecular Formula: C18H15O3P Molecular Weight (g/mol): 310.289 MDL Number: MFCD00003032 InChI Key: HVLLSGMXQDNUAL-UHFFFAOYSA-N Synonym: phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310 PubChem CID: 7540 IUPAC Name: triphenyl phosphite SMILES: C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3

PubChem CID 7540
CAS 101-02-0
Molecular Weight (g/mol) 310.289
MDL Number MFCD00003032
SMILES C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3
Synonym phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310
IUPAC Name triphenyl phosphite
InChI Key HVLLSGMXQDNUAL-UHFFFAOYSA-N
Molecular Formula C18H15O3P
14

Bis(phenylsulfonyl)sulfide, 96%

CAS: 4388-22-1 Molecular Formula: C12H10O4S3 Molecular Weight (g/mol): 314.39 MDL Number: MFCD00094733 InChI Key: YQUSJUJNDKUWAM-UHFFFAOYSA-N Synonym: bis phenylsulfonyl sulfide,benzenesulfonyl sulfide,benzenesulfonic thioanhydride,benzenesulfonothioic acid, anhydrosulfide,benzenesulfonic acid, thio-, anhydrosulfide,bis phenylsulfonyl thio,benzenesulfonyl sulfanylsulfonyl benzene,phso2 2s,benzenesulfonylthio sulfonylbenzene PubChem CID: 257516 IUPAC Name: benzenesulfonylsulfanylsulfonylbenzene SMILES: O=S(=O)(SS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 257516
CAS 4388-22-1
Molecular Weight (g/mol) 314.39
MDL Number MFCD00094733
SMILES O=S(=O)(SS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym bis phenylsulfonyl sulfide,benzenesulfonyl sulfide,benzenesulfonic thioanhydride,benzenesulfonothioic acid, anhydrosulfide,benzenesulfonic acid, thio-, anhydrosulfide,bis phenylsulfonyl thio,benzenesulfonyl sulfanylsulfonyl benzene,phso2 2s,benzenesulfonylthio sulfonylbenzene
IUPAC Name benzenesulfonylsulfanylsulfonylbenzene
InChI Key YQUSJUJNDKUWAM-UHFFFAOYSA-N
Molecular Formula C12H10O4S3
15

Lilolidine, 98%, Thermo Scientific™

CAS: 5840-01-7 Molecular Formula: C11H11N Molecular Weight (g/mol): 157.21 InChI Key: QCCKSFHMARIKSK-UHFFFAOYSA-N

CAS 5840-01-7
Molecular Weight (g/mol) 157.21
InChI Key QCCKSFHMARIKSK-UHFFFAOYSA-N
Molecular Formula C11H11N