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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.
Fluorobenzenes (3,812)
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Trifluoromethylbenzenes (1,950)
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Aniline and substituted anilines (393)
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Benzenesulfonyl compounds (283)
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1 2-Dihalobenzenes (2)
2-phenoxypropionic acids (2)

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1 – 15 of 10,373 results
1
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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

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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
2
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DL-alpha-Methoxyphenylacetic acid, 99%

CAS: 7021-09-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 InChI Key: DIWVBIXQCNRCFE-UHFFFAOYNA-N Synonym: methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid PubChem CID: 107202 IUPAC Name: 2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O

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PubChem CID 107202
CAS 7021-09-2
Molecular Weight (g/mol) 166.18
SMILES COC(C1=CC=CC=C1)C(=O)O
Synonym methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid
IUPAC Name 2-methoxy-2-phenylacetic acid
InChI Key DIWVBIXQCNRCFE-UHFFFAOYNA-N
Molecular Formula C9H10O3
3
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Isoeugenol, 98+%, mixture of cis/trans isomers

CAS: 97-54-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00009285 InChI Key: BJIOGJUNALELMI-ONEGZZNKSA-N Synonym: isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene PubChem CID: 853433 ChEBI: CHEBI:50545 SMILES: COC1=CC(\C=C\C)=CC=C1O

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PubChem CID 853433
CAS 97-54-1
Molecular Weight (g/mol) 164.20
ChEBI CHEBI:50545
MDL Number MFCD00009285
SMILES COC1=CC(\C=C\C)=CC=C1O
Synonym isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene
InChI Key BJIOGJUNALELMI-ONEGZZNKSA-N
Molecular Formula C10H12O2
4
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trans-Anethole, 99%

CAS: 4180-23-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC

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PubChem CID 637563
CAS 4180-23-8
Molecular Weight (g/mol) 148.2
ChEBI CHEBI:35616
MDL Number MFCD00009284
SMILES CC=CC1=CC=C(C=C1)OC
Synonym anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole
IUPAC Name 1-methoxy-4-[(E)-prop-1-enyl]benzene
InChI Key RUVINXPYWBROJD-ONEGZZNKSA-N
Molecular Formula C10H12O
5
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Veratrole, 99+%

CAS: 91-16-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00008357 InChI Key: ABDKAPXRBAPSQN-UHFFFAOYSA-N Synonym: veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy PubChem CID: 7043 ChEBI: CHEBI:59114 IUPAC Name: 1,2-dimethoxybenzene SMILES: COC1=CC=CC=C1OC

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PubChem CID 7043
CAS 91-16-7
Molecular Weight (g/mol) 138.17
ChEBI CHEBI:59114
MDL Number MFCD00008357
SMILES COC1=CC=CC=C1OC
Synonym veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy
IUPAC Name 1,2-dimethoxybenzene
InChI Key ABDKAPXRBAPSQN-UHFFFAOYSA-N
Molecular Formula C8H10O2
6
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Ethyl 4-hydroxybenzoate, 99%

CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O

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PubChem CID 8434
CAS 120-47-8
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:86616
MDL Number MFCD00002353
SMILES CCOC(=O)C1=CC=C(C=C1)O
Synonym ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e
IUPAC Name ethyl 4-hydroxybenzoate
InChI Key NUVBSKCKDOMJSU-UHFFFAOYSA-N
Molecular Formula C9H10O3
7
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Triphenylphosphinecopper(I) hydride hexamer, 96%

CAS: 33636-93-0 Molecular Formula: C108H96Cu6P6 Molecular Weight (g/mol): 1961.07 MDL Number: MFCD00221518 InChI Key: IZZFKTUYPRVQID-UHFFFAOYSA-T Synonym: stryker's reagent,triphenylphosphine copper hydride hexamer,triphenylphosphine-copper i hydride hexamer,unii-8x3r32m7xu,hydrido triphenylphosphine copper i hexamer,stryker's reagent mi,triphenylphosphine cuprous hydride,triphenylphosphine copper i hydride hexamer,copper, hexa-mu3-hydrohexakis triphenylphosphine hexa-, octahedro,cuprous hydride triphenylphosphine hexamer PubChem CID: 11982471 IUPAC Name: copper;triphenylphosphane SMILES: [H+].[H+].[H+].[H+].[H+].[H+].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)[Cu]123[Cu]45([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]11([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]22([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]34([P+](C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)[Cu]512[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID 11982471
CAS 33636-93-0
Molecular Weight (g/mol) 1961.07
MDL Number MFCD00221518
SMILES [H+].[H+].[H+].[H+].[H+].[H+].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)[Cu]123[Cu]45([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]11([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]22([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]34([P+](C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)[Cu]512[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym stryker's reagent,triphenylphosphine copper hydride hexamer,triphenylphosphine-copper i hydride hexamer,unii-8x3r32m7xu,hydrido triphenylphosphine copper i hexamer,stryker's reagent mi,triphenylphosphine cuprous hydride,triphenylphosphine copper i hydride hexamer,copper, hexa-mu3-hydrohexakis triphenylphosphine hexa-, octahedro,cuprous hydride triphenylphosphine hexamer
IUPAC Name copper;triphenylphosphane
InChI Key IZZFKTUYPRVQID-UHFFFAOYSA-T
Molecular Formula C108H96Cu6P6
8

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9
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Propyl 4-hydroxybenzoate, 99+%

CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.2 MDL Number: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonym: propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(C=C1)O

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PubChem CID 7175
CAS 94-13-3
Molecular Weight (g/mol) 180.2
ChEBI CHEBI:32063
MDL Number MFCD00002354
SMILES CCCOC(=O)C1=CC=C(C=C1)O
Synonym propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept
IUPAC Name propyl 4-hydroxybenzoate
InChI Key QELSKZZBTMNZEB-UHFFFAOYSA-N
Molecular Formula C10H12O3
10
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m-Tolyl acetate, 97%

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11

Benzyl alcohol, for analysis

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

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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
12

Triphenylphosphine, 99+%

CAS: 603-35-0 Molecular Formula: C18H15P Molecular Weight (g/mol): 262.29 MDL Number: MFCD00003043 MFCD20489348 InChI Key: RIOQSEWOXXDEQQ-UHFFFAOYSA-N Synonym: triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin PubChem CID: 11776 IUPAC Name: triphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID 11776
CAS 603-35-0
Molecular Weight (g/mol) 262.29
MDL Number MFCD00003043 MFCD20489348
SMILES C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin
IUPAC Name triphenylphosphane
InChI Key RIOQSEWOXXDEQQ-UHFFFAOYSA-N
Molecular Formula C18H15P
13
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2-Bromotoluene, 99%

CAS: 95-46-5 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000068 InChI Key: QSSXJPIWXQTSIX-UHFFFAOYSA-N Synonym: 2-bromotoluene,o-bromotoluene,2-methylbromobenzene,o-tolyl bromide,benzene, 1-bromo-2-methyl,toluene, o-bromo,2-bromo-1-methylbenzene,2-tolyl bromide,1-methyl-2-bromobenzene,o-methylphenyl bromide PubChem CID: 7236 IUPAC Name: 1-bromo-2-methylbenzene SMILES: CC1=CC=CC=C1Br

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PubChem CID 7236
CAS 95-46-5
Molecular Weight (g/mol) 171.04
MDL Number MFCD00000068
SMILES CC1=CC=CC=C1Br
Synonym 2-bromotoluene,o-bromotoluene,2-methylbromobenzene,o-tolyl bromide,benzene, 1-bromo-2-methyl,toluene, o-bromo,2-bromo-1-methylbenzene,2-tolyl bromide,1-methyl-2-bromobenzene,o-methylphenyl bromide
IUPAC Name 1-bromo-2-methylbenzene
InChI Key QSSXJPIWXQTSIX-UHFFFAOYSA-N
Molecular Formula C7H7Br
14

4-tert-Butylstyrene, 94%, stab. with 50 ppm 4-tert-butylcatechol

CAS: 1746-23-2 Molecular Formula: C12H16 Molecular Weight (g/mol): 160.26 MDL Number: MFCD00065126 InChI Key: QEDJMOONZLUIMC-UHFFFAOYSA-N Synonym: 4-tert-butylstyrene,p-tert-butylstyrene,p-t-butylstyrene,benzene, 1-1,1-dimethylethyl-4-ethenyl,styrene, p-tert-butyl,unii-9pct9cbw0v,1-1,1-dimethylethyl-4-ethenylbenzene,9pct9cbw0v,1-tert-butyl-4-vinylbenzene,4-t-butyl styrene PubChem CID: 15627 IUPAC Name: 1-tert-butyl-4-ethenylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C=C

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PubChem CID 15627
CAS 1746-23-2
Molecular Weight (g/mol) 160.26
MDL Number MFCD00065126
SMILES CC(C)(C)C1=CC=C(C=C1)C=C
Synonym 4-tert-butylstyrene,p-tert-butylstyrene,p-t-butylstyrene,benzene, 1-1,1-dimethylethyl-4-ethenyl,styrene, p-tert-butyl,unii-9pct9cbw0v,1-1,1-dimethylethyl-4-ethenylbenzene,9pct9cbw0v,1-tert-butyl-4-vinylbenzene,4-t-butyl styrene
IUPAC Name 1-tert-butyl-4-ethenylbenzene
InChI Key QEDJMOONZLUIMC-UHFFFAOYSA-N
Molecular Formula C12H16
15
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Benzophenone, 99+%, pure

CAS: 119-61-9 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Synonym: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

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PubChem CID 3102
CAS 119-61-9
Molecular Weight (g/mol) 182.22
ChEBI CHEBI:41308
SMILES C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Synonym benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone
IUPAC Name diphenylmethanone
InChI Key RWCCWEUUXYIKHB-UHFFFAOYSA-N
Molecular Formula C13H10O