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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9,751 – 9,765 of 78,442 results

9,751

Ethynyl p-Tolyl Sulfone 98.0+%, TCI America™

CAS: 13894-21-8 Molecular Formula: C9H8O2S Molecular Weight (g/mol): 180.221 MDL Number: MFCD00191647 InChI Key: FTHKWIMQNXVEHW-UHFFFAOYSA-N Synonym: p-Toluenesulfonylacetylene, Tosylacetylene PubChem CID: 4463273 IUPAC Name: 1-ethynylsulfonyl-4-methylbenzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)C#C

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Specifications

PubChem CID	4463273
CAS	13894-21-8
Molecular Weight (g/mol)	180.221
MDL Number	MFCD00191647
SMILES	CC1=CC=C(C=C1)S(=O)(=O)C#C
Synonym	p-Toluenesulfonylacetylene, Tosylacetylene
IUPAC Name	1-ethynylsulfonyl-4-methylbenzene
InChI Key	FTHKWIMQNXVEHW-UHFFFAOYSA-N
Molecular Formula	C9H8O2S

9,752

2-Fluoro-6-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™

CAS: 32890-94-1 Molecular Formula: C8H3F4O2 Molecular Weight (g/mol): 207.10 MDL Number: MFCD00040981 InChI Key: LNARMXLVVGHCRP-UHFFFAOYSA-M Synonym: 2-fluoro-6-trifluoromethyl benzoic acid,otf-boa-6f,alpha,alpha,alpha,6-tetrafluoro-o-toluic acid,benzoic acid, 2-fluoro-6-trifluoromethyl,6-fluoro-2-trifluoromethylbenzoic acid,2-fluoro-6-trifluoromethyl-benzoic acid,6-fluoro-2-trifluoromethyl benzoic acid,pubchem4759,acmc-20a40d,rarechem al bo 0626 PubChem CID: 688123 IUPAC Name: 2-fluoro-6-(trifluoromethyl)benzoate SMILES: [O-]C(=O)C1=C(F)C=CC=C1C(F)(F)F

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Specifications

PubChem CID	688123
CAS	32890-94-1
Molecular Weight (g/mol)	207.10
MDL Number	MFCD00040981
SMILES	[O-]C(=O)C1=C(F)C=CC=C1C(F)(F)F
Synonym	2-fluoro-6-trifluoromethyl benzoic acid,otf-boa-6f,alpha,alpha,alpha,6-tetrafluoro-o-toluic acid,benzoic acid, 2-fluoro-6-trifluoromethyl,6-fluoro-2-trifluoromethylbenzoic acid,2-fluoro-6-trifluoromethyl-benzoic acid,6-fluoro-2-trifluoromethyl benzoic acid,pubchem4759,acmc-20a40d,rarechem al bo 0626
IUPAC Name	2-fluoro-6-(trifluoromethyl)benzoate
InChI Key	LNARMXLVVGHCRP-UHFFFAOYSA-M
Molecular Formula	C8H3F4O2

9,753

4-Bromo-4'-heptylbiphenyl 97.0+%, TCI America™

CAS: 58573-93-6 Molecular Formula: C19H23Br Molecular Weight (g/mol): 331.297 MDL Number: MFCD00060107 InChI Key: RJQRJLCQHIMUQO-UHFFFAOYSA-N PubChem CID: 618710 IUPAC Name: 1-bromo-4-(4-heptylphenyl)benzene SMILES: CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)Br

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Specifications

PubChem CID	618710
CAS	58573-93-6
Molecular Weight (g/mol)	331.297
MDL Number	MFCD00060107
SMILES	CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)Br
IUPAC Name	1-bromo-4-(4-heptylphenyl)benzene
InChI Key	RJQRJLCQHIMUQO-UHFFFAOYSA-N
Molecular Formula	C19H23Br

9,754

4-Phenoxyaniline 98.0+%, TCI America™

CAS: 139-59-3 Molecular Formula: C12H11NO Molecular Weight (g/mol): 185.226 MDL Number: MFCD00007862 InChI Key: WOYZXEVUWXQVNV-UHFFFAOYSA-N Synonym: p-phenoxyaniline,4-aminodiphenyl ether,benzenamine, 4-phenoxy,4-phenoxybenzenamine,4-aminophenyl phenyl ether,4-aminodifenylether,4-amino-1-phenoxybenzene,aniline, p-phenoxy,4-aminobiphenyl ether,4-aminodiphenylether PubChem CID: 8764 IUPAC Name: 4-phenoxyaniline SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)N

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Specifications

PubChem CID	8764
CAS	139-59-3
Molecular Weight (g/mol)	185.226
MDL Number	MFCD00007862
SMILES	C1=CC=C(C=C1)OC2=CC=C(C=C2)N
Synonym	p-phenoxyaniline,4-aminodiphenyl ether,benzenamine, 4-phenoxy,4-phenoxybenzenamine,4-aminophenyl phenyl ether,4-aminodifenylether,4-amino-1-phenoxybenzene,aniline, p-phenoxy,4-aminobiphenyl ether,4-aminodiphenylether
IUPAC Name	4-phenoxyaniline
InChI Key	WOYZXEVUWXQVNV-UHFFFAOYSA-N
Molecular Formula	C12H11NO

9,755

2,2',7,7'-Tetrabromo-9,9'-spirobi[9H-fluorene] 98.0+%, TCI America™

CAS: 128055-74-3 Molecular Formula: C25H12Br4 Molecular Weight (g/mol): 631.99 MDL Number: MFCD08704220 InChI Key: MASXXNUEJVMYML-UHFFFAOYSA-N PubChem CID: 371282 IUPAC Name: 2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene] SMILES: BrC1=CC2=C(C=C1)C1=C(C=C(Br)C=C1)C21C2=C(C=CC(Br)=C2)C2=C1C=C(Br)C=C2

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Specifications

PubChem CID	371282
CAS	128055-74-3
Molecular Weight (g/mol)	631.99
MDL Number	MFCD08704220
SMILES	BrC1=CC2=C(C=C1)C1=C(C=C(Br)C=C1)C21C2=C(C=CC(Br)=C2)C2=C1C=C(Br)C=C2
IUPAC Name	2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]
InChI Key	MASXXNUEJVMYML-UHFFFAOYSA-N
Molecular Formula	C25H12Br4

9,756

1,2,3-Trimethoxybenzene 99.0+%, TCI America™

CAS: 634-36-6 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00008358 InChI Key: CRUILBNAQILVHZ-UHFFFAOYSA-N Synonym: methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene PubChem CID: 12462 ChEBI: CHEBI:86529 IUPAC Name: 1,2,3-trimethoxybenzene SMILES: COC1=C(C(=CC=C1)OC)OC

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Specifications

PubChem CID	12462
CAS	634-36-6
Molecular Weight (g/mol)	168.192
ChEBI	CHEBI:86529
MDL Number	MFCD00008358
SMILES	COC1=C(C(=CC=C1)OC)OC
Synonym	methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene
IUPAC Name	1,2,3-trimethoxybenzene
InChI Key	CRUILBNAQILVHZ-UHFFFAOYSA-N
Molecular Formula	C9H12O3

9,757

4-(Trifluoromethylthio)benzoyl Chloride 98.0+%, TCI America™

CAS: 330-14-3 Molecular Formula: C8H4ClF3OS Molecular Weight (g/mol): 240.624 MDL Number: MFCD01631632 InChI Key: BCMFTOCCLOAGBP-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio benzoyl chloride,4-trifluoromethyl thio benzoyl chloride,4-trifluoromethylsulfanyl benzoyl chloride,4-trifluoromethyl sulfanyl benzoyl chloride,4-trifluomethylthio benzoyl chloride,benzoyl chloride, 4-trifluoromethyl thio,4-trifluoromethyl sulphanyl benzoyl chloride,4-trifluoromethylsulfanyl-benzoyl chloride,acmc-209hxt,4-trifluoromethylthiobenzoylchloride PubChem CID: 2777865 IUPAC Name: 4-(trifluoromethylsulfanyl)benzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)SC(F)(F)F

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Specifications

PubChem CID	2777865
CAS	330-14-3
Molecular Weight (g/mol)	240.624
MDL Number	MFCD01631632
SMILES	C1=CC(=CC=C1C(=O)Cl)SC(F)(F)F
Synonym	4-trifluoromethylthio benzoyl chloride,4-trifluoromethyl thio benzoyl chloride,4-trifluoromethylsulfanyl benzoyl chloride,4-trifluoromethyl sulfanyl benzoyl chloride,4-trifluomethylthio benzoyl chloride,benzoyl chloride, 4-trifluoromethyl thio,4-trifluoromethyl sulphanyl benzoyl chloride,4-trifluoromethylsulfanyl-benzoyl chloride,acmc-209hxt,4-trifluoromethylthiobenzoylchloride
IUPAC Name	4-(trifluoromethylsulfanyl)benzoyl chloride
InChI Key	BCMFTOCCLOAGBP-UHFFFAOYSA-N
Molecular Formula	C8H4ClF3OS

9,758

Rhapontigenin 98.0+%, TCI America™

CAS: 500-65-2 Molecular Formula: C15H14O4 Molecular Weight (g/mol): 258.27 MDL Number: MFCD00017718 InChI Key: PHMHDRYYFAYWEG-UHFFFAOYSA-N Synonym: 3,3′C,5-Trihydroxy-4′C-methoxy-trans-stilbene, trans-1-(3,5-Dihydroxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)ethylene PubChem CID: 5320954 IUPAC Name: 5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol SMILES: COC1=C(O)C=C(C=CC2=CC(O)=CC(O)=C2)C=C1

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Specifications

PubChem CID	5320954
CAS	500-65-2
Molecular Weight (g/mol)	258.27
MDL Number	MFCD00017718
SMILES	COC1=C(O)C=C(C=CC2=CC(O)=CC(O)=C2)C=C1
Synonym	3,3′C,5-Trihydroxy-4′C-methoxy-trans-stilbene, trans-1-(3,5-Dihydroxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)ethylene
IUPAC Name	5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol
InChI Key	PHMHDRYYFAYWEG-UHFFFAOYSA-N
Molecular Formula	C15H14O4

9,759

Benzyltributylammonium Bromide 98.0+%, TCI America™

CAS: 25316-59-0 Molecular Formula: C19H34BrN Molecular Weight (g/mol): 356.392 MDL Number: MFCD00011848 InChI Key: UDYGXWPMSJPFDG-UHFFFAOYSA-M Synonym: benzyltributylammonium bromide,tributylbenzylammonium bromide,n-benzyl-n,n-dibutylbutan-1-aminium bromide,benzyl tributyl ammonium bromide,benzenemethanaminium, n,n,n-tributyl-, bromide,benzyltri-n-butylammonium bromide,benzyltributylazanium bromide,benzyl-tributyl-azanium,benzyltributylammoniumbromide,pubchem7801 PubChem CID: 2724282 IUPAC Name: benzyl(tributyl)azanium;bromide SMILES: CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Br-]

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Specifications

PubChem CID	2724282
CAS	25316-59-0
Molecular Weight (g/mol)	356.392
MDL Number	MFCD00011848
SMILES	CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Br-]
Synonym	benzyltributylammonium bromide,tributylbenzylammonium bromide,n-benzyl-n,n-dibutylbutan-1-aminium bromide,benzyl tributyl ammonium bromide,benzenemethanaminium, n,n,n-tributyl-, bromide,benzyltri-n-butylammonium bromide,benzyltributylazanium bromide,benzyl-tributyl-azanium,benzyltributylammoniumbromide,pubchem7801
IUPAC Name	benzyl(tributyl)azanium;bromide
InChI Key	UDYGXWPMSJPFDG-UHFFFAOYSA-M
Molecular Formula	C19H34BrN

9,760

Methyl 3-Hydroxy-4-nitrobenzoate 98.0+%, TCI America™

CAS: 713-52-0 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00016997 InChI Key: UEGCRFNWTGYVKX-UHFFFAOYSA-N Synonym: benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate PubChem CID: 294866 IUPAC Name: methyl 3-hydroxy-4-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O

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Specifications

PubChem CID	294866
CAS	713-52-0
Molecular Weight (g/mol)	197.146
MDL Number	MFCD00016997
SMILES	COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O
Synonym	benzoic acid, 3-hydroxy-4-nitro-, methyl ester,3-hydroxy-4-nitrobenzoic acid methyl ester,3-hydroxy-4-nitro-benzoic acid methyl ester,methyl 3-hydroxy-4-nitro-benzoate,methyl3-hydroxy-4-nitrobenzoate,pubchem20121,acmc-209oia,ksc379e5n,5-methoxycarbonyl-2-nitrophenol,methyl3-hydroxy-4-nitronemzoate
IUPAC Name	methyl 3-hydroxy-4-nitrobenzoate
InChI Key	UEGCRFNWTGYVKX-UHFFFAOYSA-N
Molecular Formula	C8H7NO5

9,761

3,5-Dibenzyloxybenzyl Bromide 98.0+%, TCI America™

CAS: 24131-32-6 Molecular Formula: C21H19BrO2 Molecular Weight (g/mol): 383.285 MDL Number: MFCD02093444 InChI Key: WGMYJGAUAQXYFQ-UHFFFAOYSA-N Synonym: 3,5-Bis(benzyloxy)benzyl Bromide, 3,5-Dibenzyloxy-alpha-bromotoluene PubChem CID: 2761019 IUPAC Name: 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene SMILES: C1=CC=C(C=C1)COC2=CC(=CC(=C2)CBr)OCC3=CC=CC=C3

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Specifications

PubChem CID	2761019
CAS	24131-32-6
Molecular Weight (g/mol)	383.285
MDL Number	MFCD02093444
SMILES	C1=CC=C(C=C1)COC2=CC(=CC(=C2)CBr)OCC3=CC=CC=C3
Synonym	3,5-Bis(benzyloxy)benzyl Bromide, 3,5-Dibenzyloxy-alpha-bromotoluene
IUPAC Name	1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene
InChI Key	WGMYJGAUAQXYFQ-UHFFFAOYSA-N
Molecular Formula	C21H19BrO2

9,762

5-Hydroxy-2-methylbenzoic Acid 98.0+%, TCI America™

CAS: 578-22-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD09833184 InChI Key: ZIOYQUNKXJQXQY-UHFFFAOYSA-N Synonym: 5-hydroxy-2-methyl-benzoic acid,5,2-cresotic acid,5-hydroxy-o-toluic acid,benzoic acid, 5-hydroxy-2-methyl,2-methyl-5-hydroxybenzoic acid,acmc-1b0c9,ksc494s9h,5-hydroxy-2-methylbenzoic acid PubChem CID: 235188 IUPAC Name: 5-hydroxy-2-methylbenzoic acid SMILES: CC1=CC=C(O)C=C1C(O)=O

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Specifications

PubChem CID	235188
CAS	578-22-3
Molecular Weight (g/mol)	152.15
MDL Number	MFCD09833184
SMILES	CC1=CC=C(O)C=C1C(O)=O
Synonym	5-hydroxy-2-methyl-benzoic acid,5,2-cresotic acid,5-hydroxy-o-toluic acid,benzoic acid, 5-hydroxy-2-methyl,2-methyl-5-hydroxybenzoic acid,acmc-1b0c9,ksc494s9h,5-hydroxy-2-methylbenzoic acid
IUPAC Name	5-hydroxy-2-methylbenzoic acid
InChI Key	ZIOYQUNKXJQXQY-UHFFFAOYSA-N
Molecular Formula	C8H8O3

9,763

2-Bromobenzamide 98.0+%, TCI America™

CAS: 4001-73-4 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD00007969 InChI Key: NHNAEZDWNCRWRW-UHFFFAOYSA-N Synonym: benzamide, 2-bromo,o-bromobenzamide,benzamide, o-bromo,2-bromo-benzamide,2-bromobenzamide,bromobenzamide,pubchem3733,maybridge1_005867,acmc-209j9x PubChem CID: 77616 IUPAC Name: 2-bromobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)Br

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Specifications

PubChem CID	77616
CAS	4001-73-4
Molecular Weight (g/mol)	200.035
MDL Number	MFCD00007969
SMILES	C1=CC=C(C(=C1)C(=O)N)Br
Synonym	benzamide, 2-bromo,o-bromobenzamide,benzamide, o-bromo,2-bromo-benzamide,2-bromobenzamide,bromobenzamide,pubchem3733,maybridge1_005867,acmc-209j9x
IUPAC Name	2-bromobenzamide
InChI Key	NHNAEZDWNCRWRW-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO

9,764

4-Bromobenzenethiol 97.0+%, TCI America™

CAS: 106-53-6 Molecular Formula: C6H5BrS Molecular Weight (g/mol): 189.07 MDL Number: MFCD00004845 InChI Key: FTBCOQFMQSTCQQ-UHFFFAOYSA-N Synonym: 4-bromothiophenol,benzenethiol, 4-bromo,p-bromothiophenol,p-bromobenzenethiol,4-bromobenzene-1-thiol,4-bromo-benzenethiol,4-bromo thiophenol,p-bromophenyl thiol,benzenethiol, p-bromo,unii-p3wuo03x17 PubChem CID: 66049 IUPAC Name: 4-bromobenzenethiol SMILES: C1=CC(=CC=C1S)Br

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Specifications

PubChem CID	66049
CAS	106-53-6
Molecular Weight (g/mol)	189.07
MDL Number	MFCD00004845
SMILES	C1=CC(=CC=C1S)Br
Synonym	4-bromothiophenol,benzenethiol, 4-bromo,p-bromothiophenol,p-bromobenzenethiol,4-bromobenzene-1-thiol,4-bromo-benzenethiol,4-bromo thiophenol,p-bromophenyl thiol,benzenethiol, p-bromo,unii-p3wuo03x17
IUPAC Name	4-bromobenzenethiol
InChI Key	FTBCOQFMQSTCQQ-UHFFFAOYSA-N
Molecular Formula	C6H5BrS

9,765

4-Bromotoluene 99.0+%, TCI America™

CAS: 106-38-7 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000109 InChI Key: ZBTMRBYMKUEVEU-UHFFFAOYSA-N Synonym: 4-bromotoluene,p-bromotoluene,4-methylbromobenzene,p-tolyl bromide,benzene, 1-bromo-4-methyl,toluene, p-bromo,p-methylphenyl bromide,p-methylbromobenzene,1-methyl-4-bromobenzene,4-bromo-1-methylbenzene PubChem CID: 7805 IUPAC Name: 1-bromo-4-methylbenzene SMILES: CC1=CC=C(Br)C=C1

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Specifications

PubChem CID	7805
CAS	106-38-7
Molecular Weight (g/mol)	171.04
MDL Number	MFCD00000109
SMILES	CC1=CC=C(Br)C=C1
Synonym	4-bromotoluene,p-bromotoluene,4-methylbromobenzene,p-tolyl bromide,benzene, 1-bromo-4-methyl,toluene, p-bromo,p-methylphenyl bromide,p-methylbromobenzene,1-methyl-4-bromobenzene,4-bromo-1-methylbenzene
IUPAC Name	1-bromo-4-methylbenzene
InChI Key	ZBTMRBYMKUEVEU-UHFFFAOYSA-N
Molecular Formula	C7H7Br

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