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.

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5,671 – 5,685 of 156,752 results

5,671

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Methyl phenyl sulfone, 98+%

CAS: 3112-85-4 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.199 MDL Number: MFCD00014741 InChI Key: JCDWETOKTFWTHA-UHFFFAOYSA-N Synonym: methyl phenyl sulfone,methylsulfonyl benzene,phenyl methyl sulfone,benzene, methylsulfonyl,sulfone, methyl phenyl,phenylsulfonyl methane,methylphenylsulfone,methylsulphonyl benzene,methanesulfonylbenzene,methyl phenyl sulphone PubChem CID: 18369 IUPAC Name: methylsulfonylbenzene SMILES: CS(=O)(=O)C1=CC=CC=C1

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PubChem CID	18369
CAS	3112-85-4
Molecular Weight (g/mol)	156.199
MDL Number	MFCD00014741
SMILES	CS(=O)(=O)C1=CC=CC=C1
Synonym	methyl phenyl sulfone,methylsulfonyl benzene,phenyl methyl sulfone,benzene, methylsulfonyl,sulfone, methyl phenyl,phenylsulfonyl methane,methylphenylsulfone,methylsulphonyl benzene,methanesulfonylbenzene,methyl phenyl sulphone
IUPAC Name	methylsulfonylbenzene
InChI Key	JCDWETOKTFWTHA-UHFFFAOYSA-N
Molecular Formula	C7H8O2S

5,672

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2-Nitrobenzotrifluoride, 98%, Thermo Scientific™

CAS: 384-22-5 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.11 MDL Number: MFCD00007145 InChI Key: NDZJSUCUYPZXPR-UHFFFAOYSA-N Synonym: 2-nitrobenzotrifluoride,1-nitro-2-trifluoromethyl benzene,o-nitrobenzotrifluoride,2-nitro-alpha,alpha,alpha-trifluorotoluene,o-trifluoromethyl nitrobenzene,benzene, 1-nitro-2-trifluoromethyl,unii-ovb3l8givj,ccris 2813,benzene, nitro trifluoromethyl,ovb3l8givj PubChem CID: 9795 IUPAC Name: 1-nitro-2-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC=CC=C1C(F)(F)F

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PubChem CID	9795
CAS	384-22-5
Molecular Weight (g/mol)	191.11
MDL Number	MFCD00007145
SMILES	[O-][N+](=O)C1=CC=CC=C1C(F)(F)F
Synonym	2-nitrobenzotrifluoride,1-nitro-2-trifluoromethyl benzene,o-nitrobenzotrifluoride,2-nitro-alpha,alpha,alpha-trifluorotoluene,o-trifluoromethyl nitrobenzene,benzene, 1-nitro-2-trifluoromethyl,unii-ovb3l8givj,ccris 2813,benzene, nitro trifluoromethyl,ovb3l8givj
IUPAC Name	1-nitro-2-(trifluoromethyl)benzene
InChI Key	NDZJSUCUYPZXPR-UHFFFAOYSA-N
Molecular Formula	C7H4F3NO2

5,673

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2-(4-Bromophenyl)-2-propanol, 97%

CAS: 2077-19-2 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD11870096 InChI Key: AOGYBHJTXLXRSM-UHFFFAOYSA-N Synonym: 2-4-bromophenyl propan-2-ol,2-4-bromophenyl-2-propanol,acmc-209fdx,2-4-bromophenyl propan-2-o1,2-4-bromophenyl-propan-2-ol,2-4-bromo-phenyl propan-2-ol,2-4-bromo-phenyl-propan-2-ol,p-bromo-alpha,alpha-dimethylbenzyl alcohol,4-bromo-alpha,alpha-dimethylbenzyl alcohol PubChem CID: 12681920 IUPAC Name: 2-(4-bromophenyl)propan-2-ol SMILES: CC(C)(O)C1=CC=C(Br)C=C1

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PubChem CID	12681920
CAS	2077-19-2
Molecular Weight (g/mol)	215.09
MDL Number	MFCD11870096
SMILES	CC(C)(O)C1=CC=C(Br)C=C1
Synonym	2-4-bromophenyl propan-2-ol,2-4-bromophenyl-2-propanol,acmc-209fdx,2-4-bromophenyl propan-2-o1,2-4-bromophenyl-propan-2-ol,2-4-bromo-phenyl propan-2-ol,2-4-bromo-phenyl-propan-2-ol,p-bromo-alpha,alpha-dimethylbenzyl alcohol,4-bromo-alpha,alpha-dimethylbenzyl alcohol
IUPAC Name	2-(4-bromophenyl)propan-2-ol
InChI Key	AOGYBHJTXLXRSM-UHFFFAOYSA-N
Molecular Formula	C9H11BrO

5,674

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Dicumyl peroxide, 98%

CAS: 80-43-3 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.372 MDL Number: MFCD00036227 InChI Key: XMNIXWIUMCBBBL-UHFFFAOYSA-N Synonym: dicumyl peroxide,cumene peroxide,cumyl peroxide,percumyl d,perkadox b,diisopropylbenzene peroxide,perkadox bc,perkadox sb,dicumenyl peroxide,peroxide, bis 1-methyl-1-phenylethyl PubChem CID: 6641 IUPAC Name: 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene SMILES: CC(C)(C1=CC=CC=C1)OOC(C)(C)C2=CC=CC=C2

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PubChem CID	6641
CAS	80-43-3
Molecular Weight (g/mol)	270.372
MDL Number	MFCD00036227
SMILES	CC(C)(C1=CC=CC=C1)OOC(C)(C)C2=CC=CC=C2
Synonym	dicumyl peroxide,cumene peroxide,cumyl peroxide,percumyl d,perkadox b,diisopropylbenzene peroxide,perkadox bc,perkadox sb,dicumenyl peroxide,peroxide, bis 1-methyl-1-phenylethyl
IUPAC Name	2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
InChI Key	XMNIXWIUMCBBBL-UHFFFAOYSA-N
Molecular Formula	C18H22O2

5,675

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4-Fluoro-3-nitrobenzenesulfonamide, 97%

CAS: 406233-31-6 Molecular Formula: C6H5FN2O4S Molecular Weight (g/mol): 220.174 MDL Number: MFCD08703185 InChI Key: FAYVDRRKPVJSPE-UHFFFAOYSA-N PubChem CID: 16782487 IUPAC Name: 4-fluoro-3-nitrobenzenesulfonamide SMILES: C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])F

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Specifications

PubChem CID	16782487
CAS	406233-31-6
Molecular Weight (g/mol)	220.174
MDL Number	MFCD08703185
SMILES	C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])F
IUPAC Name	4-fluoro-3-nitrobenzenesulfonamide
InChI Key	FAYVDRRKPVJSPE-UHFFFAOYSA-N
Molecular Formula	C6H5FN2O4S

5,676

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2,7-Dinitro-9-fluorenone, 97%

CAS: 31551-45-8 Molecular Formula: C13H6N2O5 Molecular Weight (g/mol): 270.20 MDL Number: MFCD00001153 InChI Key: HDVGAFBXTXDYIB-UHFFFAOYSA-N Synonym: 2,7-dinitro-9-fluorenone,2,7-dinitrofluorenone,9h-fluoren-9-one, 2,7-dinitro,2,7-dinitro-9h-fluoren-9-one,fluoren-9-one, 2,7-dinitro,9-fluorenone, 2,7-dinitro,ccris 2911,acmc-209hnh,maybridge1_004322,fluoren-9-one,7-dinitro PubChem CID: 35842 IUPAC Name: 2,7-dinitrofluoren-9-one SMILES: [O-][N+](=O)C1=CC=C2C3=CC=C(C=C3C(=O)C2=C1)[N+]([O-])=O

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PubChem CID	35842
CAS	31551-45-8
Molecular Weight (g/mol)	270.20
MDL Number	MFCD00001153
SMILES	[O-][N+](=O)C1=CC=C2C3=CC=C(C=C3C(=O)C2=C1)[N+]([O-])=O
Synonym	2,7-dinitro-9-fluorenone,2,7-dinitrofluorenone,9h-fluoren-9-one, 2,7-dinitro,2,7-dinitro-9h-fluoren-9-one,fluoren-9-one, 2,7-dinitro,9-fluorenone, 2,7-dinitro,ccris 2911,acmc-209hnh,maybridge1_004322,fluoren-9-one,7-dinitro
IUPAC Name	2,7-dinitrofluoren-9-one
InChI Key	HDVGAFBXTXDYIB-UHFFFAOYSA-N
Molecular Formula	C13H6N2O5

5,677

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Methyl 4-fluoro-2-methoxybenzoate, 97+%, Thermo Scientific Chemicals

CAS: 204707-42-6 Molecular Formula: C9H9FO3 Molecular Weight (g/mol): 184.17 MDL Number: MFCD06203990 InChI Key: LJUAEPNTXDJBRX-UHFFFAOYSA-N Synonym: 4-fluoro-2-methoxybenzoic acid methyl ester,methyl 2-methoxy-4-fluoro-benzoate,benzoic acid, 4-fluoro-2-methoxy-, methyl ester,rarechem al bf 1023,methyl-4-fluoro-2-methoxybenzoate,methyl 4-fluoranyl-2-methoxy-benzoate,2-methoxy-4-fluorobenzoic acid methyl ester,4-fluoro-2-methoxy-benzoic acid methyl ester PubChem CID: 10241478 IUPAC Name: methyl 4-fluoro-2-methoxybenzoate SMILES: COC(=O)C1=C(OC)C=C(F)C=C1

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PubChem CID	10241478
CAS	204707-42-6
Molecular Weight (g/mol)	184.17
MDL Number	MFCD06203990
SMILES	COC(=O)C1=C(OC)C=C(F)C=C1
Synonym	4-fluoro-2-methoxybenzoic acid methyl ester,methyl 2-methoxy-4-fluoro-benzoate,benzoic acid, 4-fluoro-2-methoxy-, methyl ester,rarechem al bf 1023,methyl-4-fluoro-2-methoxybenzoate,methyl 4-fluoranyl-2-methoxy-benzoate,2-methoxy-4-fluorobenzoic acid methyl ester,4-fluoro-2-methoxy-benzoic acid methyl ester
IUPAC Name	methyl 4-fluoro-2-methoxybenzoate
InChI Key	LJUAEPNTXDJBRX-UHFFFAOYSA-N
Molecular Formula	C9H9FO3

5,678

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2-Bromofluorene, 95%

CAS: 1133-80-8 Molecular Formula: C13H9Br Molecular Weight (g/mol): 245.119 MDL Number: MFCD00001115 InChI Key: FXSCJZNMWILAJO-UHFFFAOYSA-N Synonym: 2-bromofluorene,9h-fluorene, 2-bromo,2-brom-9h-fluoren,2-bromofluorene, tech.,#,acmc-1c7b2,ksc181a7p,2-bromofluorene 5g,4-bromo-2,2'-methylenebiphenyl PubChem CID: 14336 IUPAC Name: 2-bromo-9H-fluorene SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)Br

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PubChem CID	14336
CAS	1133-80-8
Molecular Weight (g/mol)	245.119
MDL Number	MFCD00001115
SMILES	C1C2=CC=CC=C2C3=C1C=C(C=C3)Br
Synonym	2-bromofluorene,9h-fluorene, 2-bromo,2-brom-9h-fluoren,2-bromofluorene, tech.,#,acmc-1c7b2,ksc181a7p,2-bromofluorene 5g,4-bromo-2,2'-methylenebiphenyl
IUPAC Name	2-bromo-9H-fluorene
InChI Key	FXSCJZNMWILAJO-UHFFFAOYSA-N
Molecular Formula	C13H9Br

5,679

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2-(Trifluoromethyl)benzoic acid, 98%, Thermo Scientific Chemicals

CAS: 433-97-6 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00002476 InChI Key: FBRJYBGLCHWYOE-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid PubChem CID: 9899 ChEBI: CHEBI:60694 IUPAC Name: 2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC=CC=C1C(F)(F)F

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PubChem CID	9899
CAS	433-97-6
Molecular Weight (g/mol)	190.12
ChEBI	CHEBI:60694
MDL Number	MFCD00002476
SMILES	OC(=O)C1=CC=CC=C1C(F)(F)F
Synonym	2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid
IUPAC Name	2-(trifluoromethyl)benzoic acid
InChI Key	FBRJYBGLCHWYOE-UHFFFAOYSA-N
Molecular Formula	C8H5F3O2

5,680

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4-Bromo-2-methylbenzoic acid, 97%

CAS: 68837-59-2 Molecular Formula: C₈H₇BrO₂ Molecular Weight (g/mol): 215.05 InChI Key: RVCJOGNLYVNRDN-UHFFFAOYSA-N Synonym: 2-methyl-4-bromobenzoic acid,4-bromo-o-toluic acid,4-bromo-2-methyl-benzoic acid,benzoic acid, 4-bromo-2-methyl,synquest 2721-9-x6,4-bromo-2-methylbenz,4-bromo-2-methylbenzoicacid,pubchem4029,5-bromo-2-carboxytoluene,acmc-1baz5 PubChem CID: 99570 IUPAC Name: 4-bromo-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)Br)C(=O)O

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PubChem CID	99570
CAS	68837-59-2
Molecular Weight (g/mol)	215.05
SMILES	CC1=C(C=CC(=C1)Br)C(=O)O
Synonym	2-methyl-4-bromobenzoic acid,4-bromo-o-toluic acid,4-bromo-2-methyl-benzoic acid,benzoic acid, 4-bromo-2-methyl,synquest 2721-9-x6,4-bromo-2-methylbenz,4-bromo-2-methylbenzoicacid,pubchem4029,5-bromo-2-carboxytoluene,acmc-1baz5
IUPAC Name	4-bromo-2-methylbenzoic acid
InChI Key	RVCJOGNLYVNRDN-UHFFFAOYSA-N
Molecular Formula	C₈H₇BrO₂

5,681

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4-Fluorophenol, 99%

CAS: 371-41-5 Molecular Formula: C6H5FO Molecular Weight (g/mol): 112.10 MDL Number: MFCD00002316 InChI Key: RHMPLDJJXGPMEX-UHFFFAOYSA-N Synonym: p-fluorophenol,phenol, 4-fluoro,phenol, p-fluoro,para-fluorophenol,4-fluoro phenol,4-fluoro-phenol,ccris 665,4-fluoranylphenol,fpn PubChem CID: 9732 IUPAC Name: 4-fluorophenol SMILES: OC1=CC=C(F)C=C1

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PubChem CID	9732
CAS	371-41-5
Molecular Weight (g/mol)	112.10
MDL Number	MFCD00002316
SMILES	OC1=CC=C(F)C=C1
Synonym	p-fluorophenol,phenol, 4-fluoro,phenol, p-fluoro,para-fluorophenol,4-fluoro phenol,4-fluoro-phenol,ccris 665,4-fluoranylphenol,fpn
IUPAC Name	4-fluorophenol
InChI Key	RHMPLDJJXGPMEX-UHFFFAOYSA-N
Molecular Formula	C6H5FO

5,682

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4,4'-Difluorobenzophenone, 98+%

CAS: 345-92-6 Molecular Formula: C13H8F2O Molecular Weight (g/mol): 218.20 MDL Number: MFCD00000353 InChI Key: LSQARZALBDFYQZ-UHFFFAOYSA-N Synonym: 4,4'-difluorobenzophenone,bis 4-fluorophenyl methanone,bis 4-fluorophenyl-methanone,methanone, bis 4-fluorophenyl,p,p'-difluorobenzophenone,di-p-fluorophenyl ketone,bis p-fluorophenyl ketone,bis 4-fluorophenyl ketone,benzophenone, 4,4'-difluoro,unii-88bnc11b9c PubChem CID: 9582 IUPAC Name: bis(4-fluorophenyl)methanone SMILES: FC1=CC=C(C=C1)C(=O)C1=CC=C(F)C=C1

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PubChem CID	9582
CAS	345-92-6
Molecular Weight (g/mol)	218.20
MDL Number	MFCD00000353
SMILES	FC1=CC=C(C=C1)C(=O)C1=CC=C(F)C=C1
Synonym	4,4'-difluorobenzophenone,bis 4-fluorophenyl methanone,bis 4-fluorophenyl-methanone,methanone, bis 4-fluorophenyl,p,p'-difluorobenzophenone,di-p-fluorophenyl ketone,bis p-fluorophenyl ketone,bis 4-fluorophenyl ketone,benzophenone, 4,4'-difluoro,unii-88bnc11b9c
IUPAC Name	bis(4-fluorophenyl)methanone
InChI Key	LSQARZALBDFYQZ-UHFFFAOYSA-N
Molecular Formula	C13H8F2O

5,683

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(R)-1,2,3,4-Tetrahydro-1-naphthoic acid, 98%

CAS: 23357-47-3 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD07368364 InChI Key: VDLWTJCSPSUGOA-SNVBAGLBSA-N Synonym: r-1,2,3,4-tetrahedro-naphthoic acid,r-1,2,3,4-tetrahydronaphthoic acid,r-1,2,3,4-tetrahydro-naphthoic acid,r-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid,r-1,2,3,4-tetrahydro-1-naphthoic acid,r-1,2,3,4-tetrahedronaphthoic acid,1r-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid,1-naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-, 1r,pubchem5734,r-1,2,3,4-tert-ahydro naphthoic acid PubChem CID: 12598147 IUPAC Name: (1R)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid SMILES: C1CC(C2=CC=CC=C2C1)C(=O)O

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Specifications

PubChem CID	12598147
CAS	23357-47-3
Molecular Weight (g/mol)	176.215
MDL Number	MFCD07368364
SMILES	C1CC(C2=CC=CC=C2C1)C(=O)O
Synonym	r-1,2,3,4-tetrahedro-naphthoic acid,r-1,2,3,4-tetrahydronaphthoic acid,r-1,2,3,4-tetrahydro-naphthoic acid,r-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid,r-1,2,3,4-tetrahydro-1-naphthoic acid,r-1,2,3,4-tetrahedronaphthoic acid,1r-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid,1-naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-, 1r,pubchem5734,r-1,2,3,4-tert-ahydro naphthoic acid
IUPAC Name	(1R)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
InChI Key	VDLWTJCSPSUGOA-SNVBAGLBSA-N
Molecular Formula	C11H12O2

5,684

p-Aminobenzoic Acid, 99+%, Free Acid, MP Biomedicals™

CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O

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Specifications

PubChem CID	978
CAS	150-13-0
Molecular Weight (g/mol)	137.14
ChEBI	CHEBI:30753
MDL Number	MFCD00007894
SMILES	NC1=CC=C(C=C1)C(O)=O
Synonym	p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino
IUPAC Name	4-aminobenzoic acid
InChI Key	ALYNCZNDIQEVRV-UHFFFAOYSA-N
Molecular Formula	C7H7NO2

5,685

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1-Chloro-4-fluorobenzene, 98%

CAS: 352-33-0 Molecular Formula: C6H4ClF Molecular Weight (g/mol): 130.55 MDL Number: MFCD00000603 InChI Key: RJCGZNCCVKIBHO-UHFFFAOYSA-N Synonym: p-chlorofluorobenzene,p-fluorochlorobenzene,4-chlorofluorobenzene,benzene, 1-chloro-4-fluoro,1-fluoro-4-chlorobenzene,1-chloro-4-fluoro-benzene,4-fluorochlorobenzene,1,4-fluorochlorobenzene,p-chloro-fluorobenzene,pubchem3420 PubChem CID: 9604 IUPAC Name: 1-chloro-4-fluorobenzene SMILES: FC1=CC=C(Cl)C=C1

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Specifications

PubChem CID	9604
CAS	352-33-0
Molecular Weight (g/mol)	130.55
MDL Number	MFCD00000603
SMILES	FC1=CC=C(Cl)C=C1
Synonym	p-chlorofluorobenzene,p-fluorochlorobenzene,4-chlorofluorobenzene,benzene, 1-chloro-4-fluoro,1-fluoro-4-chlorobenzene,1-chloro-4-fluoro-benzene,4-fluorochlorobenzene,1,4-fluorochlorobenzene,p-chloro-fluorobenzene,pubchem3420
IUPAC Name	1-chloro-4-fluorobenzene
InChI Key	RJCGZNCCVKIBHO-UHFFFAOYSA-N
Molecular Formula	C6H4ClF

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