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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (64,925)
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Naphthalenes (4,958)
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Unsubstituted Phenols (1,173)
Thiophenols (609)
Phenol esters (426)
Anthracenes (400)
Tetralins (329)
Phenanthrenes and derivatives (300)
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1-hydroxylamino 2-unsubstituted benzenoids (5)

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3,481 – 3,495 of 73,815 results
3,481

2-Fluoro-5-iodobenzoic acid, 97%

CAS: 124700-41-0 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD03094517 InChI Key: QNNJHBNTHVHALE-UHFFFAOYSA-N Synonym: benzoic acid, 2-fluoro-5-iodo,2-fluoro-5-iodobenzoicacid,2-fluoro-5-iodo-benzoic acid,pubchem1385,acmc-1c24w,ksc174o6d,rarechem al bo 1479,buttpark 122\01-06,5-iodo-2-fluorobenzoic acid,2-fluoro-5-iodobenzoic acid PubChem CID: 2778925 IUPAC Name: 2-fluoro-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)F

PubChem CID 2778925
CAS 124700-41-0
Molecular Weight (g/mol) 266.01
MDL Number MFCD03094517
SMILES C1=CC(=C(C=C1I)C(=O)O)F
Synonym benzoic acid, 2-fluoro-5-iodo,2-fluoro-5-iodobenzoicacid,2-fluoro-5-iodo-benzoic acid,pubchem1385,acmc-1c24w,ksc174o6d,rarechem al bo 1479,buttpark 122\01-06,5-iodo-2-fluorobenzoic acid,2-fluoro-5-iodobenzoic acid
IUPAC Name 2-fluoro-5-iodobenzoic acid
InChI Key QNNJHBNTHVHALE-UHFFFAOYSA-N
Molecular Formula C7H4FIO2
3,482

N-Methyl-3-(1H-pyrazol-1-ylmethyl)benzylamine, 90%, Thermo Scientific™

CAS: 892502-10-2 Molecular Formula: C12H15N3 Molecular Weight (g/mol): 201.273 MDL Number: MFCD08690303 InChI Key: RXKBCAGRFVIQTK-UHFFFAOYSA-N Synonym: n-methyl-3-1h-pyrazol-1-ylmethyl benzylamine,methyl 3-pyrazol-1-ylmethyl phenyl methyl amine,methyl 3-pyrazolylmethyl phenyl methyl amine,benzenemethanamine,n-methyl-3-1h-pyrazol-1-ylmethyl,1-3-1h-pyrazol-1-yl methyl phenyl-n-methylmethanamine,n-methyl-1-3-1h-pyrazol-1-yl methyl phenyl methanamine PubChem CID: 18525881 IUPAC Name: N-methyl-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine SMILES: CNCC1=CC=CC(=C1)CN2C=CC=N2

PubChem CID 18525881
CAS 892502-10-2
Molecular Weight (g/mol) 201.273
MDL Number MFCD08690303
SMILES CNCC1=CC=CC(=C1)CN2C=CC=N2
Synonym n-methyl-3-1h-pyrazol-1-ylmethyl benzylamine,methyl 3-pyrazol-1-ylmethyl phenyl methyl amine,methyl 3-pyrazolylmethyl phenyl methyl amine,benzenemethanamine,n-methyl-3-1h-pyrazol-1-ylmethyl,1-3-1h-pyrazol-1-yl methyl phenyl-n-methylmethanamine,n-methyl-1-3-1h-pyrazol-1-yl methyl phenyl methanamine
IUPAC Name N-methyl-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine
InChI Key RXKBCAGRFVIQTK-UHFFFAOYSA-N
Molecular Formula C12H15N3
3,483

[3-(1H-Imidazol-1-ylmethyl)phenyl]methanol, ≥97%, Thermo Scientific™

CAS: 151055-79-7 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD08271918 InChI Key: TXQZIKDWFOLTSC-UHFFFAOYSA-N PubChem CID: 10397593 IUPAC Name: [3-(imidazol-1-ylmethyl)phenyl]methanol SMILES: C1=CC(=CC(=C1)CO)CN2C=CN=C2

PubChem CID 10397593
CAS 151055-79-7
Molecular Weight (g/mol) 188.23
MDL Number MFCD08271918
SMILES C1=CC(=CC(=C1)CO)CN2C=CN=C2
IUPAC Name [3-(imidazol-1-ylmethyl)phenyl]methanol
InChI Key TXQZIKDWFOLTSC-UHFFFAOYSA-N
Molecular Formula C11H12N2O
3,484

4-n-Propylbenzeneboronic acid, 98%, Thermo Scientific Chemicals

CAS: 134150-01-9 Molecular Formula: C9H13BO2 Molecular Weight (g/mol): 164.01 MDL Number: MFCD00859261 InChI Key: WLCGYIWOKVWFLB-UHFFFAOYSA-N Synonym: 4-propylphenyl boronic acid,4-propyl benzeneboronic acid,4-propylphenylboronicacid,4-n-propylphenylboronic acid,4-n-propylbenzeneboronic acid,boronic acid, 4-propylphenyl,pubchem7892,acmc-209btz,4-propylphenyboronic acid PubChem CID: 4100861 IUPAC Name: (4-propylphenyl)boronic acid SMILES: CCCC1=CC=C(C=C1)B(O)O

PubChem CID 4100861
CAS 134150-01-9
Molecular Weight (g/mol) 164.01
MDL Number MFCD00859261
SMILES CCCC1=CC=C(C=C1)B(O)O
Synonym 4-propylphenyl boronic acid,4-propyl benzeneboronic acid,4-propylphenylboronicacid,4-n-propylphenylboronic acid,4-n-propylbenzeneboronic acid,boronic acid, 4-propylphenyl,pubchem7892,acmc-209btz,4-propylphenyboronic acid
IUPAC Name (4-propylphenyl)boronic acid
InChI Key WLCGYIWOKVWFLB-UHFFFAOYSA-N
Molecular Formula C9H13BO2
3,485

3-(Chloromethyl)benzoic acid, 97%, Thermo Scientific Chemicals

CAS: 31719-77-4 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00191922 InChI Key: PBSUMBYSVFTMNG-UHFFFAOYSA-N Synonym: 3-chloromethyl benzoic acid,alpha-chloro-m-toluic acid,3-chloromethyl-benzoic acid,benzoic acid, 3-chloromethyl,pubchem7446,acmc-209hog,3-carboxybenzyl chloride,3-chloromethyl benzoicacid,ksc497k4l,chembl67150 PubChem CID: 241752 IUPAC Name: 3-(chloromethyl)benzoic acid SMILES: OC(=O)C1=CC=CC(CCl)=C1

PubChem CID 241752
CAS 31719-77-4
Molecular Weight (g/mol) 170.59
MDL Number MFCD00191922
SMILES OC(=O)C1=CC=CC(CCl)=C1
Synonym 3-chloromethyl benzoic acid,alpha-chloro-m-toluic acid,3-chloromethyl-benzoic acid,benzoic acid, 3-chloromethyl,pubchem7446,acmc-209hog,3-carboxybenzyl chloride,3-chloromethyl benzoicacid,ksc497k4l,chembl67150
IUPAC Name 3-(chloromethyl)benzoic acid
InChI Key PBSUMBYSVFTMNG-UHFFFAOYSA-N
Molecular Formula C8H7ClO2
3,486

N-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzylamine, 95%, Thermo Scientific™

CAS: 921938-59-2 Molecular Formula: C11H13N3O Molecular Weight (g/mol): 203.245 MDL Number: MFCD09817473 InChI Key: FWMVARCHFJQGJP-UHFFFAOYSA-N Synonym: n-methyl-3-3-methyl-1,2,4-oxadiazol-5-yl benzylamine,methyl 3-3-methyl-1,2,4-oxadiazol-5-yl phenyl methyl amine,n-methyl-1-3-3-methyl-1,2,4-oxadiazol-5-yl phenyl methanamine,3-methyl-5-3-methylamino methyl phenyl-1,2,4-oxadiazole,methyl 3-3-methyl 1,2,4-oxadiazol-5-yl phenyl methyl amine PubChem CID: 24229501 IUPAC Name: N-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine SMILES: CC1=NOC(=N1)C2=CC(=CC=C2)CNC

PubChem CID 24229501
CAS 921938-59-2
Molecular Weight (g/mol) 203.245
MDL Number MFCD09817473
SMILES CC1=NOC(=N1)C2=CC(=CC=C2)CNC
Synonym n-methyl-3-3-methyl-1,2,4-oxadiazol-5-yl benzylamine,methyl 3-3-methyl-1,2,4-oxadiazol-5-yl phenyl methyl amine,n-methyl-1-3-3-methyl-1,2,4-oxadiazol-5-yl phenyl methanamine,3-methyl-5-3-methylamino methyl phenyl-1,2,4-oxadiazole,methyl 3-3-methyl 1,2,4-oxadiazol-5-yl phenyl methyl amine
IUPAC Name N-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
InChI Key FWMVARCHFJQGJP-UHFFFAOYSA-N
Molecular Formula C11H13N3O
3,487

Pentafluorophenyl 1-methyl-1H-indole-7-carboxylate, 97%, Thermo Scientific™

CAS: 941716-96-7 Molecular Formula: C16H8F5NO2 Molecular Weight (g/mol): 341.24 MDL Number: MFCD09879962 InChI Key: UEOKRSIJVAQHID-UHFFFAOYSA-N Synonym: pentafluorophenyl 1-methyl-1h-indole-7-carboxylate,pentafluorophenyl 1-methylindole-7-carboxylate,2,3,4,5,6-pentakis fluoranyl phenyl 1-methylindole-7-carboxylate,1-methyl-7-indolecarboxylic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229744 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 1-methylindole-7-carboxylate SMILES: CN1C=CC2=CC=CC(C(=O)OC3=C(F)C(F)=C(F)C(F)=C3F)=C12

PubChem CID 24229744
CAS 941716-96-7
Molecular Weight (g/mol) 341.24
MDL Number MFCD09879962
SMILES CN1C=CC2=CC=CC(C(=O)OC3=C(F)C(F)=C(F)C(F)=C3F)=C12
Synonym pentafluorophenyl 1-methyl-1h-indole-7-carboxylate,pentafluorophenyl 1-methylindole-7-carboxylate,2,3,4,5,6-pentakis fluoranyl phenyl 1-methylindole-7-carboxylate,1-methyl-7-indolecarboxylic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 1-methylindole-7-carboxylate
InChI Key UEOKRSIJVAQHID-UHFFFAOYSA-N
Molecular Formula C16H8F5NO2
3,488

N-[3-(2-Furyl)benzyl]-N-methylamine, ≥97%, Thermo Scientific™

CAS: 857284-27-6 Molecular Formula: C12H13NO Molecular Weight (g/mol): 187.242 MDL Number: MFCD08435877 InChI Key: WMCXJYGZLCREMM-UHFFFAOYSA-N Synonym: n-3-2-furyl benzyl-n-methylamine,3-furan-2-yl phenyl methyl methyl amine,1-3-furan-2-yl phenyl-n-methylmethanamine,3-2-furyl phenyl methyl methylamine,benzenemethanamine,3-2-furanyl-n-methyl PubChem CID: 18525790 IUPAC Name: 1-[3-(furan-2-yl)phenyl]-N-methylmethanamine SMILES: CNCC1=CC=CC(=C1)C2=CC=CO2

PubChem CID 18525790
CAS 857284-27-6
Molecular Weight (g/mol) 187.242
MDL Number MFCD08435877
SMILES CNCC1=CC=CC(=C1)C2=CC=CO2
Synonym n-3-2-furyl benzyl-n-methylamine,3-furan-2-yl phenyl methyl methyl amine,1-3-furan-2-yl phenyl-n-methylmethanamine,3-2-furyl phenyl methyl methylamine,benzenemethanamine,3-2-furanyl-n-methyl
IUPAC Name 1-[3-(furan-2-yl)phenyl]-N-methylmethanamine
InChI Key WMCXJYGZLCREMM-UHFFFAOYSA-N
Molecular Formula C12H13NO
3,489

Chlorotris(triphenylphosphine)cobalt(I), 97%

CAS: 26305-75-9 Molecular Formula: C54H45ClCoP3 Molecular Weight (g/mol): 881.26 MDL Number: MFCD00015864 InChI Key: RHNBOEDTKLKUEB-UHFFFAOYSA-M Synonym: chlorotris triphenylphosphine cobalt i,cobalt i tris triphenylphosphine chloride PubChem CID: 71431130 IUPAC Name: cobalt;triphenylphosphane;chloride SMILES: [Cl-].[Co+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 71431130
CAS 26305-75-9
Molecular Weight (g/mol) 881.26
MDL Number MFCD00015864
SMILES [Cl-].[Co+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym chlorotris triphenylphosphine cobalt i,cobalt i tris triphenylphosphine chloride
IUPAC Name cobalt;triphenylphosphane;chloride
InChI Key RHNBOEDTKLKUEB-UHFFFAOYSA-M
Molecular Formula C54H45ClCoP3
3,490

4-Methoxybenzonitrile, 99%

CAS: 874-90-8 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001818 InChI Key: XDJAAZYHCCRJOK-UHFFFAOYSA-N Synonym: anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile PubChem CID: 70129 IUPAC Name: 4-methoxybenzonitrile SMILES: COC1=CC=C(C=C1)C#N

PubChem CID 70129
CAS 874-90-8
Molecular Weight (g/mol) 133.15
MDL Number MFCD00001818
SMILES COC1=CC=C(C=C1)C#N
Synonym anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile
IUPAC Name 4-methoxybenzonitrile
InChI Key XDJAAZYHCCRJOK-UHFFFAOYSA-N
Molecular Formula C8H7NO
3,491

o-Xylylene dibromide, 97%

CAS: 91-13-4 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 MDL Number: MFCD00000175 InChI Key: KGKAYWMGPDWLQZ-UHFFFAOYSA-N Synonym: 1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776 PubChem CID: 66665 IUPAC Name: 1,2-bis(bromomethyl)benzene SMILES: C1=CC=C(C(=C1)CBr)CBr

PubChem CID 66665
CAS 91-13-4
Molecular Weight (g/mol) 263.96
MDL Number MFCD00000175
SMILES C1=CC=C(C(=C1)CBr)CBr
Synonym 1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776
IUPAC Name 1,2-bis(bromomethyl)benzene
InChI Key KGKAYWMGPDWLQZ-UHFFFAOYSA-N
Molecular Formula C8H8Br2
3,492

Methyl 2,4-dihydroxybenzoate, 97%

CAS: 2150-47-2 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00002276 InChI Key: IIFCLXHRIYTHPV-UHFFFAOYSA-N Synonym: 2,4-dihydroxybenzoic acid methyl ester,benzoic acid, 2,4-dihydroxy-, methyl ester,methyl beta-resorcylate,methyl-2,4-dihydroxybenzoate,unii-xe68bu3oyj,xe68bu3oyj,.beta.-resorcylic acid, methyl ester,beta-resorcylic acid methyl ester,methyl benzoate, 2,4-dihydroxy,methyl b-resorcylate PubChem CID: 16523 IUPAC Name: methyl 2,4-dihydroxybenzoate SMILES: COC(=O)C1=C(C=C(C=C1)O)O

PubChem CID 16523
CAS 2150-47-2
Molecular Weight (g/mol) 168.148
MDL Number MFCD00002276
SMILES COC(=O)C1=C(C=C(C=C1)O)O
Synonym 2,4-dihydroxybenzoic acid methyl ester,benzoic acid, 2,4-dihydroxy-, methyl ester,methyl beta-resorcylate,methyl-2,4-dihydroxybenzoate,unii-xe68bu3oyj,xe68bu3oyj,.beta.-resorcylic acid, methyl ester,beta-resorcylic acid methyl ester,methyl benzoate, 2,4-dihydroxy,methyl b-resorcylate
IUPAC Name methyl 2,4-dihydroxybenzoate
InChI Key IIFCLXHRIYTHPV-UHFFFAOYSA-N
Molecular Formula C8H8O4
3,493

2-Fluorophenyl isocyanate, 98%

CAS: 16744-98-2 Molecular Formula: C7H4FNO Molecular Weight (g/mol): 137.113 MDL Number: MFCD00001996 InChI Key: VZNCSZQPNIEEMN-UHFFFAOYSA-N Synonym: 2-fluorophenyl isocyanate,o-fluorophenyl isocyanate,2-fluorophenylisocyanate,benzene, 1-fluoro-2-isocyanato,isocyanic acid 2-fluorophenyl ester,2-fluorobenzenisocyanate,paragos 331045,labotest-bb ltbb005297,pubchem4455,2-flurophenylisocyanate PubChem CID: 85588 IUPAC Name: 1-fluoro-2-isocyanatobenzene SMILES: C1=CC=C(C(=C1)N=C=O)F

PubChem CID 85588
CAS 16744-98-2
Molecular Weight (g/mol) 137.113
MDL Number MFCD00001996
SMILES C1=CC=C(C(=C1)N=C=O)F
Synonym 2-fluorophenyl isocyanate,o-fluorophenyl isocyanate,2-fluorophenylisocyanate,benzene, 1-fluoro-2-isocyanato,isocyanic acid 2-fluorophenyl ester,2-fluorobenzenisocyanate,paragos 331045,labotest-bb ltbb005297,pubchem4455,2-flurophenylisocyanate
IUPAC Name 1-fluoro-2-isocyanatobenzene
InChI Key VZNCSZQPNIEEMN-UHFFFAOYSA-N
Molecular Formula C7H4FNO
3,494

1,4-Bis(trifluoromethyl)benzene, 99%

CAS: 433-19-2 Molecular Formula: C8H4F6 Molecular Weight (g/mol): 214.11 MDL Number: MFCD00000402 InChI Key: PDCBZHHORLHNCZ-UHFFFAOYSA-N Synonym: 1,4-bis trifluoromethyl benzene,1,4-di trifluoromethyl benzene,1,4-bis trifluoromethyl-benzene,hexafluoro-p-xylene,p-bis trifluoromethyl benzene,benzene, 1,4-bis trifluoromethyl,1,4-bis-trifluoromethylbenzene,p-trifluoromethylbenzotrifluoride,ptf-tfm,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-p-xylene PubChem CID: 67945 IUPAC Name: 1,4-bis(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=C(C=C1)C(F)(F)F

PubChem CID 67945
CAS 433-19-2
Molecular Weight (g/mol) 214.11
MDL Number MFCD00000402
SMILES FC(F)(F)C1=CC=C(C=C1)C(F)(F)F
Synonym 1,4-bis trifluoromethyl benzene,1,4-di trifluoromethyl benzene,1,4-bis trifluoromethyl-benzene,hexafluoro-p-xylene,p-bis trifluoromethyl benzene,benzene, 1,4-bis trifluoromethyl,1,4-bis-trifluoromethylbenzene,p-trifluoromethylbenzotrifluoride,ptf-tfm,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-p-xylene
IUPAC Name 1,4-bis(trifluoromethyl)benzene
InChI Key PDCBZHHORLHNCZ-UHFFFAOYSA-N
Molecular Formula C8H4F6
3,495

Methyl 4-iodosalicylate, 98%

CAS: 18179-39-0 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 MDL Number: MFCD06797864 InChI Key: WUFUURSWOJROKY-UHFFFAOYSA-N Synonym: methyl 4-iodosalicylate,2-hydroxy-4-iodobenzoic acid methyl ester,benzoic acid,2-hydroxy-4-iodo-, methyl ester,methyl-4-iodosalicylate,methyl 4-iodosalicyclate,acmc-1c81e,methyl2-hydroxy-4-iodobenzoate,methyl 4-iodo-2-hydroxybenzoate,methyl-2-hydroxy-4-iodo-benzoate PubChem CID: 11380407 IUPAC Name: methyl 2-hydroxy-4-iodobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)I)O

PubChem CID 11380407
CAS 18179-39-0
Molecular Weight (g/mol) 278.045
MDL Number MFCD06797864
SMILES COC(=O)C1=C(C=C(C=C1)I)O
Synonym methyl 4-iodosalicylate,2-hydroxy-4-iodobenzoic acid methyl ester,benzoic acid,2-hydroxy-4-iodo-, methyl ester,methyl-4-iodosalicylate,methyl 4-iodosalicyclate,acmc-1c81e,methyl2-hydroxy-4-iodobenzoate,methyl 4-iodo-2-hydroxybenzoate,methyl-2-hydroxy-4-iodo-benzoate
IUPAC Name methyl 2-hydroxy-4-iodobenzoate
InChI Key WUFUURSWOJROKY-UHFFFAOYSA-N
Molecular Formula C8H7IO3