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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.
Hydroxybenzoic Acid Derivatives (18,478)
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3,286 – 3,300 of 64,662 results
3,286
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2,4-Di-tert-butylphenol, 97%

CAS: 96-76-4 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.329 MDL Number: MFCD00008828 InChI Key: ICKWICRCANNIBI-UHFFFAOYSA-N Synonym: 2,4-di-tert-butylphenol,2,4-di-t-butylphenol,phenol, 2,4-bis 1,1-dimethylethyl,antioxidant no. 33,1-hydroxy-2,4-di-tert-butylbenzene,phenol, 2,4-di-tert-butyl,2,4-bis tert-butyl phenol,prodox 146,prodox 146a-85x,unii-fob94g6hzt PubChem CID: 7311 IUPAC Name: 2,4-ditert-butylphenol SMILES: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C

PubChem CID 7311
CAS 96-76-4
Molecular Weight (g/mol) 206.329
MDL Number MFCD00008828
SMILES CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C
Synonym 2,4-di-tert-butylphenol,2,4-di-t-butylphenol,phenol, 2,4-bis 1,1-dimethylethyl,antioxidant no. 33,1-hydroxy-2,4-di-tert-butylbenzene,phenol, 2,4-di-tert-butyl,2,4-bis tert-butyl phenol,prodox 146,prodox 146a-85x,unii-fob94g6hzt
IUPAC Name 2,4-ditert-butylphenol
InChI Key ICKWICRCANNIBI-UHFFFAOYSA-N
Molecular Formula C14H22O
3,287
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4-Fluoro-2-methylbenzyl alcohol, 99%

CAS: 80141-91-9 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.157 MDL Number: MFCD03701058 InChI Key: YSULUXOLTMBSFF-UHFFFAOYSA-N Synonym: 4-fluoro-2-methylphenyl methanol,4-fluoro-2-methylbenzyl alcohol,4-fluoro-2-methylbenzylalcohol,rarechem al bd 0506,4-fluoro-2-methylbenzenemethanol,benzenemethanol, 4-fluoro-2-methyl,4-fluoro-2-methyl-phenyl-methanol,4-fluoro-2-methylphenyl methan-1-ol,4'-fluoro-2-methylbenzyl alcohol PubChem CID: 3872017 IUPAC Name: (4-fluoro-2-methylphenyl)methanol SMILES: CC1=C(C=CC(=C1)F)CO

PubChem CID 3872017
CAS 80141-91-9
Molecular Weight (g/mol) 140.157
MDL Number MFCD03701058
SMILES CC1=C(C=CC(=C1)F)CO
Synonym 4-fluoro-2-methylphenyl methanol,4-fluoro-2-methylbenzyl alcohol,4-fluoro-2-methylbenzylalcohol,rarechem al bd 0506,4-fluoro-2-methylbenzenemethanol,benzenemethanol, 4-fluoro-2-methyl,4-fluoro-2-methyl-phenyl-methanol,4-fluoro-2-methylphenyl methan-1-ol,4'-fluoro-2-methylbenzyl alcohol
IUPAC Name (4-fluoro-2-methylphenyl)methanol
InChI Key YSULUXOLTMBSFF-UHFFFAOYSA-N
Molecular Formula C8H9FO
3,288
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3-Methoxyphenyl isocyanate, 99%

CAS: 18908-07-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00002019 InChI Key: NPOVTGVGOBJZPY-UHFFFAOYSA-N Synonym: 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate PubChem CID: 87843 IUPAC Name: 1-isocyanato-3-methoxybenzene SMILES: COC1=CC=CC(=C1)N=C=O

PubChem CID 87843
CAS 18908-07-1
Molecular Weight (g/mol) 149.15
MDL Number MFCD00002019
SMILES COC1=CC=CC(=C1)N=C=O
Synonym 3-methoxyphenyl isocyanate,benzene, 1-isocyanato-3-methoxy,isocyanic acid 3-methoxyphenyl ester,3-isocyanatoanisole,3-methoxyphenylisocyanate,m-methoxyphenyl isocyanate,1-isocyanato-3-methoxy-benzene,3-methoxybenzenisocyanate,m-anisyl isocyanate,m-methoxyphenylisocyanate
IUPAC Name 1-isocyanato-3-methoxybenzene
InChI Key NPOVTGVGOBJZPY-UHFFFAOYSA-N
Molecular Formula C8H7NO2
3,289
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Methyl 4-iodobenzoate, 98%

CAS: 619-44-3 Molecular Formula: C8H7IO2 MDL Number: MFCD00016353 InChI Key: DYUWQWMXZHDZOR-UHFFFAOYSA-N Synonym: methyl p-iodobenzoate,4-iodobenzoic acid methyl ester,benzoic acid, 4-iodo-, methyl ester,4-iodo-benzoic acid methyl ester,benzoic acid, p-iodo-, methyl ester,methyl-4-iodobenzoate,methyl 4-iodo-benzoate,methyl-4-iodo-benzoate,pubchem20378,methyl para-iodobenzoate PubChem CID: 69273 IUPAC Name: methyl 4-iodobenzoate

PubChem CID 69273
CAS 619-44-3
MDL Number MFCD00016353
Synonym methyl p-iodobenzoate,4-iodobenzoic acid methyl ester,benzoic acid, 4-iodo-, methyl ester,4-iodo-benzoic acid methyl ester,benzoic acid, p-iodo-, methyl ester,methyl-4-iodobenzoate,methyl 4-iodo-benzoate,methyl-4-iodo-benzoate,pubchem20378,methyl para-iodobenzoate
IUPAC Name methyl 4-iodobenzoate
InChI Key DYUWQWMXZHDZOR-UHFFFAOYSA-N
Molecular Formula C8H7IO2
3,291
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1-(4-Chlorobenzyl)piperazine, 98%

CAS: 23145-88-2 Molecular Formula: C11H15ClN2 Molecular Weight (g/mol): 210.705 MDL Number: MFCD00040791 InChI Key: GSJXJZOWHSTWOX-UHFFFAOYSA-N Synonym: 1-4-chlorobenzyl piperazine,1-4-chlorophenyl methyl piperazine,4-chlorobenzylpiperazine,1-4-chlorobenzyl-piperazine,1-4-chloro-benzyl-piperazine,1-4-chloro benzyl piperazine,n-4-chlorobenzyl piperazine,4-chlorophenyl methyl piperazine,norhomochlorcyclizine,chlorobenzylpiperazin PubChem CID: 134826 IUPAC Name: 1-[(4-chlorophenyl)methyl]piperazine SMILES: C1CN(CCN1)CC2=CC=C(C=C2)Cl

PubChem CID 134826
CAS 23145-88-2
Molecular Weight (g/mol) 210.705
MDL Number MFCD00040791
SMILES C1CN(CCN1)CC2=CC=C(C=C2)Cl
Synonym 1-4-chlorobenzyl piperazine,1-4-chlorophenyl methyl piperazine,4-chlorobenzylpiperazine,1-4-chlorobenzyl-piperazine,1-4-chloro-benzyl-piperazine,1-4-chloro benzyl piperazine,n-4-chlorobenzyl piperazine,4-chlorophenyl methyl piperazine,norhomochlorcyclizine,chlorobenzylpiperazin
IUPAC Name 1-[(4-chlorophenyl)methyl]piperazine
InChI Key GSJXJZOWHSTWOX-UHFFFAOYSA-N
Molecular Formula C11H15ClN2
3,292
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Potassium tetrakis(pentafluorophenyl)borate, 97%

CAS: 89171-23-3 Molecular Formula: C24BF20K Molecular Weight (g/mol): 718.14 MDL Number: MFCD06797410 InChI Key: GYBHRIJOPWTIKA-UHFFFAOYSA-N Synonym: potassium tetrakis pentafluorophenyl borate,potassium tetrakis pentafluorophe-nyl borate,tetrakis-pentafluorophenyl-potassium borate,potassium tetrakis 2,3,4,5,6-pentafluorophenyl boranuide PubChem CID: 23693577 IUPAC Name: potassium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide SMILES: [B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.[K+]

PubChem CID 23693577
CAS 89171-23-3
Molecular Weight (g/mol) 718.14
MDL Number MFCD06797410
SMILES [B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F.[K+]
Synonym potassium tetrakis pentafluorophenyl borate,potassium tetrakis pentafluorophe-nyl borate,tetrakis-pentafluorophenyl-potassium borate,potassium tetrakis 2,3,4,5,6-pentafluorophenyl boranuide
IUPAC Name potassium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
InChI Key GYBHRIJOPWTIKA-UHFFFAOYSA-N
Molecular Formula C24BF20K
3,293
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2,3,4-Trimethoxybenzoic acid, 98+%

CAS: 573-11-5 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.201 MDL Number: MFCD00002433 InChI Key: HZNQSWJZTWOTKM-UHFFFAOYSA-N Synonym: benzoic acid, 2,3,4-trimethoxy,2,3,4-trimethoxybenzoicacid,2,3,4-trimethoxy-benzoic acid,trimethoxybenzoic acid,benzoic acid, trimethoxy,acmc-209lx4,ksc265s3r,2,3,4-trimethoxy benzoic acid,2,3,4-trimethoxybenzoic acid PubChem CID: 11308 IUPAC Name: 2,3,4-trimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)C(=O)O)OC)OC

PubChem CID 11308
CAS 573-11-5
Molecular Weight (g/mol) 212.201
MDL Number MFCD00002433
SMILES COC1=C(C(=C(C=C1)C(=O)O)OC)OC
Synonym benzoic acid, 2,3,4-trimethoxy,2,3,4-trimethoxybenzoicacid,2,3,4-trimethoxy-benzoic acid,trimethoxybenzoic acid,benzoic acid, trimethoxy,acmc-209lx4,ksc265s3r,2,3,4-trimethoxy benzoic acid,2,3,4-trimethoxybenzoic acid
IUPAC Name 2,3,4-trimethoxybenzoic acid
InChI Key HZNQSWJZTWOTKM-UHFFFAOYSA-N
Molecular Formula C10H12O5
3,294
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1-(Phenylsulfonyl)indole, 98%

CAS: 40899-71-6 Molecular Formula: C14H11NO2S Molecular Weight (g/mol): 257.31 MDL Number: MFCD00134318 InChI Key: VDWLCYCWLIKWBV-UHFFFAOYSA-N Synonym: 1-phenylsulfonyl-1h-indole,1-phenylsulfonyl indole,1-benzenesulfonyl indole,1-benzenesulfonyl-1h-indole,n-phenylsulfonylindole,1-phenylsulphonyl indole,1-phenylsulfonyl-indole,chembl82224 PubChem CID: 315017 IUPAC Name: 1-(benzenesulfonyl)indole SMILES: O=S(=O)(N1C=CC2=CC=CC=C12)C1=CC=CC=C1

PubChem CID 315017
CAS 40899-71-6
Molecular Weight (g/mol) 257.31
MDL Number MFCD00134318
SMILES O=S(=O)(N1C=CC2=CC=CC=C12)C1=CC=CC=C1
Synonym 1-phenylsulfonyl-1h-indole,1-phenylsulfonyl indole,1-benzenesulfonyl indole,1-benzenesulfonyl-1h-indole,n-phenylsulfonylindole,1-phenylsulphonyl indole,1-phenylsulfonyl-indole,chembl82224
IUPAC Name 1-(benzenesulfonyl)indole
InChI Key VDWLCYCWLIKWBV-UHFFFAOYSA-N
Molecular Formula C14H11NO2S
3,295
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(R)-(+)-4-(Diphenylmethyl)-2-oxazolidinone, 97%

CAS: 173604-33-6 Molecular Formula: C16H15NO2 Molecular Weight (g/mol): 253.301 MDL Number: MFCD01863565 InChI Key: QEOCTJMBYZNEJH-AWEZNQCLSA-N Synonym: r-4-benzhydryloxazolidin-2-one,r-+-4-diphenylmethyl-2-oxazolidinone,r-4-methyldiphenyl-2-oxazolidinone,4r-4-diphenylmethyl-1,3-oxazolidin-2-one,pubchem11686,4r-4-benzhydryloxazolidine-2-one,r-4-diphenylmethyl oxazolidin-2-one,2-oxazolidinone,4-diphenylmethyl-, 4r,2-oxazolidinone, 4-diphenylmethyl-, 4r,r-+-4-diphenylmethyl-2-oxazolidin PubChem CID: 9837924 IUPAC Name: (4R)-4-benzhydryl-1,3-oxazolidin-2-one SMILES: C1C(NC(=O)O1)C(C2=CC=CC=C2)C3=CC=CC=C3

PubChem CID 9837924
CAS 173604-33-6
Molecular Weight (g/mol) 253.301
MDL Number MFCD01863565
SMILES C1C(NC(=O)O1)C(C2=CC=CC=C2)C3=CC=CC=C3
Synonym r-4-benzhydryloxazolidin-2-one,r-+-4-diphenylmethyl-2-oxazolidinone,r-4-methyldiphenyl-2-oxazolidinone,4r-4-diphenylmethyl-1,3-oxazolidin-2-one,pubchem11686,4r-4-benzhydryloxazolidine-2-one,r-4-diphenylmethyl oxazolidin-2-one,2-oxazolidinone,4-diphenylmethyl-, 4r,2-oxazolidinone, 4-diphenylmethyl-, 4r,r-+-4-diphenylmethyl-2-oxazolidin
IUPAC Name (4R)-4-benzhydryl-1,3-oxazolidin-2-one
InChI Key QEOCTJMBYZNEJH-AWEZNQCLSA-N
Molecular Formula C16H15NO2
3,296
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2-Fluoro-4-methylaniline, 99%

CAS: 452-80-2 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00040975 InChI Key: ZQEXBVHABAJPHJ-UHFFFAOYSA-N Synonym: 2-fluoro-4-methyaniline,2-fluoro-p-toluidine,4-amino-3-fluorotoluene,p-toluidine, 2-fluoro,benzenamine, 2-fluoro-4-methyl,2-fluoro-4-methyl aniline,2-fluoro-4-methyl-aniline,2-fluoro-4-methyl-phenylamine,2-fluoro-4-methylphenylamine,benzenamine, 2-fluoro-4-methyl-9ci PubChem CID: 67984 IUPAC Name: 2-fluoro-4-methylaniline SMILES: CC1=CC=C(N)C(F)=C1

PubChem CID 67984
CAS 452-80-2
Molecular Weight (g/mol) 125.15
MDL Number MFCD00040975
SMILES CC1=CC=C(N)C(F)=C1
Synonym 2-fluoro-4-methyaniline,2-fluoro-p-toluidine,4-amino-3-fluorotoluene,p-toluidine, 2-fluoro,benzenamine, 2-fluoro-4-methyl,2-fluoro-4-methyl aniline,2-fluoro-4-methyl-aniline,2-fluoro-4-methyl-phenylamine,2-fluoro-4-methylphenylamine,benzenamine, 2-fluoro-4-methyl-9ci
IUPAC Name 2-fluoro-4-methylaniline
InChI Key ZQEXBVHABAJPHJ-UHFFFAOYSA-N
Molecular Formula C7H8FN
3,297
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p-Anisic Acid, Spectrum™ Chemical
SDP

CAS: 100-09-4

CAS 100-09-4
3,298

[2-(2-Morpholinoethoxy)phenyl]methylamine, 97%, Thermo Scientific™

CAS: 540753-13-7 Molecular Formula: C13H20N2O2 Molecular Weight (g/mol): 236.315 MDL Number: MFCD08060517 InChI Key: QHAMTJRGPZWTSO-UHFFFAOYSA-N Synonym: 2-2-morpholinoethoxy phenyl methylamine,2-2-morpholin-4-yl ethoxy phenyl methanamine,2-2-morpholin-4-yl-ethoxy-benzylamine,1-2-2-morpholin-4-yl ethoxy phenyl methanamine,2-2-morpholin-4-ylethoxy phenyl methanamine,2-2-morpholinoethoxy phenyl methanamine,2-2-morpholin-4-ylethoxy phenyl methylamine PubChem CID: 7537544 IUPAC Name: [2-(2-morpholin-4-ylethoxy)phenyl]methanamine SMILES: C1COCCN1CCOC2=CC=CC=C2CN

PubChem CID 7537544
CAS 540753-13-7
Molecular Weight (g/mol) 236.315
MDL Number MFCD08060517
SMILES C1COCCN1CCOC2=CC=CC=C2CN
Synonym 2-2-morpholinoethoxy phenyl methylamine,2-2-morpholin-4-yl ethoxy phenyl methanamine,2-2-morpholin-4-yl-ethoxy-benzylamine,1-2-2-morpholin-4-yl ethoxy phenyl methanamine,2-2-morpholin-4-ylethoxy phenyl methanamine,2-2-morpholinoethoxy phenyl methanamine,2-2-morpholin-4-ylethoxy phenyl methylamine
IUPAC Name [2-(2-morpholin-4-ylethoxy)phenyl]methanamine
InChI Key QHAMTJRGPZWTSO-UHFFFAOYSA-N
Molecular Formula C13H20N2O2
3,299
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1-n-Heptyl-4-iodobenzene, 98%

CAS: 131894-91-2 Molecular Formula: C13H19I Molecular Weight (g/mol): 302.20 MDL Number: MFCD07777084 InChI Key: NHXKOPSTJPLWPK-UHFFFAOYSA-N Synonym: 1-n-heptyl-4-iodobenzene,4-heptyl-1-iodobenzene PubChem CID: 15001646 IUPAC Name: 1-heptyl-4-iodobenzene SMILES: CCCCCCCC1=CC=C(I)C=C1

PubChem CID 15001646
CAS 131894-91-2
Molecular Weight (g/mol) 302.20
MDL Number MFCD07777084
SMILES CCCCCCCC1=CC=C(I)C=C1
Synonym 1-n-heptyl-4-iodobenzene,4-heptyl-1-iodobenzene
IUPAC Name 1-heptyl-4-iodobenzene
InChI Key NHXKOPSTJPLWPK-UHFFFAOYSA-N
Molecular Formula C13H19I
3,300
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m-Phenetidine, 98%

CAS: 621-33-0 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00007785 InChI Key: WEZAHYDFZNTGKE-UHFFFAOYSA-N Synonym: m-phenetidine,benzenamine, 3-ethoxy,m-ethoxyaniline,3-ethoxybenzenamine,unii-xe9kkl972r,ccris 4696,xe9kkl972r,3-ethoxyphenylamine,3-ethoxy aniline,3-ethoxy-phenylamine PubChem CID: 12120 IUPAC Name: 3-ethoxyaniline SMILES: CCOC1=CC=CC(N)=C1

PubChem CID 12120
CAS 621-33-0
Molecular Weight (g/mol) 137.18
MDL Number MFCD00007785
SMILES CCOC1=CC=CC(N)=C1
Synonym m-phenetidine,benzenamine, 3-ethoxy,m-ethoxyaniline,3-ethoxybenzenamine,unii-xe9kkl972r,ccris 4696,xe9kkl972r,3-ethoxyphenylamine,3-ethoxy aniline,3-ethoxy-phenylamine
IUPAC Name 3-ethoxyaniline
InChI Key WEZAHYDFZNTGKE-UHFFFAOYSA-N
Molecular Formula C8H11NO