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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7,876 – 7,890 of 78,418 results

7,876

Methyltriphenylphosphonium Chloride 98.0+%, TCI America™

CAS: 1031-15-8 Molecular Formula: C19H18ClP Molecular Weight (g/mol): 312.78 MDL Number: MFCD00797851 InChI Key: QRPRIOOKPZSVFN-UHFFFAOYSA-M Synonym: methyltriphenylphosphonium chloride,methyl triphenyl phosphonium chloride,phosphonium, methyltriphenyl-, chloride,methyltriphenylphosphanium chloride,methyltriphenylphosphoniumchloride,methyl triphenylphosphoniumchloride,methyl triphenylphosphonium chloride,methyl triphenyl phosphanium chloride PubChem CID: 9879809 IUPAC Name: methyltriphenylphosphanium chloride SMILES: [Cl-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	9879809
CAS	1031-15-8
Molecular Weight (g/mol)	312.78
MDL Number	MFCD00797851
SMILES	[Cl-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	methyltriphenylphosphonium chloride,methyl triphenyl phosphonium chloride,phosphonium, methyltriphenyl-, chloride,methyltriphenylphosphanium chloride,methyltriphenylphosphoniumchloride,methyl triphenylphosphoniumchloride,methyl triphenylphosphonium chloride,methyl triphenyl phosphanium chloride
IUPAC Name	methyltriphenylphosphanium chloride
InChI Key	QRPRIOOKPZSVFN-UHFFFAOYSA-M
Molecular Formula	C19H18ClP

7,877

Cyclopropyl 2-Fluorobenzyl Ketone 98.0+%, TCI America™

CAS: 150322-73-9 Molecular Formula: C11H11FO Molecular Weight (g/mol): 178.206 MDL Number: MFCD10687164 InChI Key: DWBGTJUQWKWYGB-UHFFFAOYSA-N PubChem CID: 15289941 IUPAC Name: 1-cyclopropyl-2-(2-fluorophenyl)ethanone SMILES: C1CC1C(=O)CC2=CC=CC=C2F

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Specifications

PubChem CID	15289941
CAS	150322-73-9
Molecular Weight (g/mol)	178.206
MDL Number	MFCD10687164
SMILES	C1CC1C(=O)CC2=CC=CC=C2F
IUPAC Name	1-cyclopropyl-2-(2-fluorophenyl)ethanone
InChI Key	DWBGTJUQWKWYGB-UHFFFAOYSA-N
Molecular Formula	C11H11FO

7,878

Anastrozole 98.0+%, TCI America™

CAS: 120511-73-1 Molecular Formula: C17H19N5 Molecular Weight (g/mol): 293.374 MDL Number: MFCD00866298 InChI Key: YBBLVLTVTVSKRW-UHFFFAOYSA-N Synonym: anastrozole,arimidex,anastrazole,anastrozol,2,2'-5-1h-1,2,4-triazol-1-yl methyl-1,3-phenylene bis 2-methylpropanenitrile,anastrole,asiolex,zeneca zd 1033,unii-2z07myw1az,arimidex tn PubChem CID: 2187 ChEBI: CHEBI:2704 IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile SMILES: CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N

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Specifications

PubChem CID	2187
CAS	120511-73-1
Molecular Weight (g/mol)	293.374
ChEBI	CHEBI:2704
MDL Number	MFCD00866298
SMILES	CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N
Synonym	anastrozole,arimidex,anastrazole,anastrozol,2,2'-5-1h-1,2,4-triazol-1-yl methyl-1,3-phenylene bis 2-methylpropanenitrile,anastrole,asiolex,zeneca zd 1033,unii-2z07myw1az,arimidex tn
IUPAC Name	2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
InChI Key	YBBLVLTVTVSKRW-UHFFFAOYSA-N
Molecular Formula	C17H19N5

7,879

1,3,5-Tris(4'-fluorobiphenyl-4-yl)benzene 95.0+%, TCI America™

CAS: 372956-40-6 Molecular Formula: C42H27F3 Molecular Weight (g/mol): 588.673 InChI Key: KMIGKTQTBLIAJV-UHFFFAOYSA-N Synonym: 4,4′′′′-Difluoro-5′′-(4′-fluoro-[1,1′-biphenyl]-4-yl)-1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-quinquephenyl PubChem CID: 11467407 IUPAC Name: 1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)F)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)F)C6=CC=C(C=C6)C7=CC=C(C=C7)F

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Specifications

PubChem CID	11467407
CAS	372956-40-6
Molecular Weight (g/mol)	588.673
SMILES	C1=CC(=CC=C1C2=CC=C(C=C2)F)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)F)C6=CC=C(C=C6)C7=CC=C(C=C7)F
Synonym	4,4′′′′-Difluoro-5′′-(4′-fluoro-[1,1′-biphenyl]-4-yl)-1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-quinquephenyl
IUPAC Name	1,3,5-tris[4-(4-fluorophenyl)phenyl]benzene
InChI Key	KMIGKTQTBLIAJV-UHFFFAOYSA-N
Molecular Formula	C42H27F3

7,880

2-Nitro-p-tolunitrile 98.0+%, TCI America™

CAS: 26830-95-5 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.15 MDL Number: MFCD00056107 InChI Key: QGBSLPHQCUIZKK-UHFFFAOYSA-N Synonym: 2-nitro-p-tolunitrile,2-nitro-4-toluonitrile,benzonitrile, 4-methyl-2-nitro,2-nitro-4-methylbenzonitrile,4-methyl-2-nitro-benzonitrile,4-methyl-2-nitrobenzenecarbonitrile,pubchem13730,acmc-1cjm6,ksc494k5h,4-methyl-2-nitro benzonitrile PubChem CID: 96235 IUPAC Name: 4-methyl-2-nitrobenzonitrile SMILES: CC1=CC=C(C#N)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	96235
CAS	26830-95-5
Molecular Weight (g/mol)	162.15
MDL Number	MFCD00056107
SMILES	CC1=CC=C(C#N)C(=C1)[N+]([O-])=O
Synonym	2-nitro-p-tolunitrile,2-nitro-4-toluonitrile,benzonitrile, 4-methyl-2-nitro,2-nitro-4-methylbenzonitrile,4-methyl-2-nitro-benzonitrile,4-methyl-2-nitrobenzenecarbonitrile,pubchem13730,acmc-1cjm6,ksc494k5h,4-methyl-2-nitro benzonitrile
IUPAC Name	4-methyl-2-nitrobenzonitrile
InChI Key	QGBSLPHQCUIZKK-UHFFFAOYSA-N
Molecular Formula	C8H6N2O2

7,881

2-Amino-4-(trifluoromethyl)benzoic Acid 97.0+%, TCI America™

CAS: 402-13-1 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.136 MDL Number: MFCD00519334 InChI Key: NQTLZJODEOHALT-UHFFFAOYSA-N Synonym: 4-(Trifluoromethyl)anthranilic Acid PubChem CID: 67869 IUPAC Name: 2-amino-4-(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C=C1C(F)(F)F)N)C(=O)O

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Specifications

PubChem CID	67869
CAS	402-13-1
Molecular Weight (g/mol)	205.136
MDL Number	MFCD00519334
SMILES	C1=CC(=C(C=C1C(F)(F)F)N)C(=O)O
Synonym	4-(Trifluoromethyl)anthranilic Acid
IUPAC Name	2-amino-4-(trifluoromethyl)benzoic acid
InChI Key	NQTLZJODEOHALT-UHFFFAOYSA-N
Molecular Formula	C8H6F3NO2

7,882

2,4-Dihydroxybenzamide 98.0+%, TCI America™

CAS: 3147-45-3 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00064913 InChI Key: IIUJCQYKTGNRHH-UHFFFAOYSA-N PubChem CID: 76601 IUPAC Name: 2,4-dihydroxybenzamide SMILES: NC(=O)C1=CC=C(O)C=C1O

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Specifications

PubChem CID	76601
CAS	3147-45-3
Molecular Weight (g/mol)	153.14
MDL Number	MFCD00064913
SMILES	NC(=O)C1=CC=C(O)C=C1O
IUPAC Name	2,4-dihydroxybenzamide
InChI Key	IIUJCQYKTGNRHH-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

7,883

3,4-Dihydroxybenzyl Alcohol 96.0+%, TCI America™

CAS: 3897-89-0 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00210409 InChI Key: PCYGLFXKCBFGPC-UHFFFAOYSA-N Synonym: 4-Hydroxymethylpyrocatechol, alpha,3,4-Trihydroxytoluene PubChem CID: 100733 ChEBI: CHEBI:20412 IUPAC Name: 4-(hydroxymethyl)benzene-1,2-diol SMILES: OCC1=CC=C(O)C(O)=C1

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Specifications

PubChem CID	100733
CAS	3897-89-0
Molecular Weight (g/mol)	140.14
ChEBI	CHEBI:20412
MDL Number	MFCD00210409
SMILES	OCC1=CC=C(O)C(O)=C1
Synonym	4-Hydroxymethylpyrocatechol, alpha,3,4-Trihydroxytoluene
IUPAC Name	4-(hydroxymethyl)benzene-1,2-diol
InChI Key	PCYGLFXKCBFGPC-UHFFFAOYSA-N
Molecular Formula	C7H8O3

7,884

2,5-Difluorobenzyl Cyanide 98.0+%, TCI America™

CAS: 69584-87-8 Molecular Formula: C8H5F2N Molecular Weight (g/mol): 153.13 MDL Number: MFCD00009972 InChI Key: UIMMFRUOZOWROM-UHFFFAOYSA-N Synonym: 2,5-difluorophenylacetonitrile,2,5-difluorobenzyl cyanide,2-2,5-difluorophenyl acetonitrile,2,5-difluorophenyl acetonitrile,benzeneacetonitrile, 2,5-difluoro,2,5-difluoro-phenyl-acetonitrile,2-2,5-difluorophenyl ethanenitrile,2,5-difluorophenylacetonitirle,pubchem4097,2,5-difluorobenzylcyanide PubChem CID: 592780 IUPAC Name: 2-(2,5-difluorophenyl)acetonitrile SMILES: FC1=CC=C(F)C(CC#N)=C1

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Specifications

PubChem CID	592780
CAS	69584-87-8
Molecular Weight (g/mol)	153.13
MDL Number	MFCD00009972
SMILES	FC1=CC=C(F)C(CC#N)=C1
Synonym	2,5-difluorophenylacetonitrile,2,5-difluorobenzyl cyanide,2-2,5-difluorophenyl acetonitrile,2,5-difluorophenyl acetonitrile,benzeneacetonitrile, 2,5-difluoro,2,5-difluoro-phenyl-acetonitrile,2-2,5-difluorophenyl ethanenitrile,2,5-difluorophenylacetonitirle,pubchem4097,2,5-difluorobenzylcyanide
IUPAC Name	2-(2,5-difluorophenyl)acetonitrile
InChI Key	UIMMFRUOZOWROM-UHFFFAOYSA-N
Molecular Formula	C8H5F2N

7,885

4-Bromo-1-chloro-2-fluorobenzene 98.0+%, TCI America™

CAS: 60811-18-9 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.44 MDL Number: MFCD00042519 InChI Key: AGYWDGVTLKNTBS-UHFFFAOYSA-N Synonym: 1-bromo-4-chloro-3-fluorobenzene,3-fluoro-4-chlorobromobenzene,2-fluoro-4-bromochlorobenzene,2-chloro-5-bromofluorobenzene,4-chloro-3-fluorobromobenzene,5-bromo-2-chlorofluorobenzene,4-bromo-1-chloro-2-fluoro-benzene,4-bromo-2-fluorochlorobenzene,benzene, 4-bromo-1-chloro-2-fluoro,3-fluoro-4-chloro-bromobenzene PubChem CID: 2724690 IUPAC Name: 4-bromo-1-chloro-2-fluorobenzene SMILES: FC1=C(Cl)C=CC(Br)=C1

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Specifications

PubChem CID	2724690
CAS	60811-18-9
Molecular Weight (g/mol)	209.44
MDL Number	MFCD00042519
SMILES	FC1=C(Cl)C=CC(Br)=C1
Synonym	1-bromo-4-chloro-3-fluorobenzene,3-fluoro-4-chlorobromobenzene,2-fluoro-4-bromochlorobenzene,2-chloro-5-bromofluorobenzene,4-chloro-3-fluorobromobenzene,5-bromo-2-chlorofluorobenzene,4-bromo-1-chloro-2-fluoro-benzene,4-bromo-2-fluorochlorobenzene,benzene, 4-bromo-1-chloro-2-fluoro,3-fluoro-4-chloro-bromobenzene
IUPAC Name	4-bromo-1-chloro-2-fluorobenzene
InChI Key	AGYWDGVTLKNTBS-UHFFFAOYSA-N
Molecular Formula	C6H3BrClF

7,886

3-Bromo-5-iodobenzoic Acid 98.0+%, TCI America™

CAS: 188815-32-9 Molecular Formula: C7H4BrIO2 Molecular Weight (g/mol): 326.915 MDL Number: MFCD00191851 InChI Key: MKJBJYCBKXPQSY-UHFFFAOYSA-N Synonym: 5-bromo-3-iodobenzoic acid,3-bromo-5-iodo-benzoic acid,3-bromo-5-iodobenzoicacid,benzoic acid, 3-bromo-5-iodo,3-iodo-5-bromobenzoic acid,pubchem3788,acmc-209erv,3-bromo-5-iodobenzoic aicd,3-bromo-5-iodo benzoic acid,5-iodo-3-bromo-benzoic acid PubChem CID: 5182520 IUPAC Name: 3-bromo-5-iodobenzoic acid SMILES: C1=C(C=C(C=C1Br)I)C(=O)O

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Specifications

PubChem CID	5182520
CAS	188815-32-9
Molecular Weight (g/mol)	326.915
MDL Number	MFCD00191851
SMILES	C1=C(C=C(C=C1Br)I)C(=O)O
Synonym	5-bromo-3-iodobenzoic acid,3-bromo-5-iodo-benzoic acid,3-bromo-5-iodobenzoicacid,benzoic acid, 3-bromo-5-iodo,3-iodo-5-bromobenzoic acid,pubchem3788,acmc-209erv,3-bromo-5-iodobenzoic aicd,3-bromo-5-iodo benzoic acid,5-iodo-3-bromo-benzoic acid
IUPAC Name	3-bromo-5-iodobenzoic acid
InChI Key	MKJBJYCBKXPQSY-UHFFFAOYSA-N
Molecular Formula	C7H4BrIO2

7,887

2-Chloroanthracene 98.0+%, TCI America™

CAS: 17135-78-3 Molecular Formula: C14H9Cl Molecular Weight (g/mol): 212.676 InChI Key: OWFINXQLBMJDJQ-UHFFFAOYSA-N Synonym: anthracene, 2-chloro,ccris 5549,.beta.-chloro anthracene,2-chloroanthracene,acmc-1c5s8,dsstox_cid_29086,dsstox_rid_83305,dsstox_gsid_49230,4-05-00-02292 beilstein handbook reference,owfinxqlbmjdjq-uhfffaoysa PubChem CID: 28308 IUPAC Name: 2-chloroanthracene SMILES: C1=CC=C2C=C3C=C(C=CC3=CC2=C1)Cl

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Specifications

PubChem CID	28308
CAS	17135-78-3
Molecular Weight (g/mol)	212.676
SMILES	C1=CC=C2C=C3C=C(C=CC3=CC2=C1)Cl
Synonym	anthracene, 2-chloro,ccris 5549,.beta.-chloro anthracene,2-chloroanthracene,acmc-1c5s8,dsstox_cid_29086,dsstox_rid_83305,dsstox_gsid_49230,4-05-00-02292 beilstein handbook reference,owfinxqlbmjdjq-uhfffaoysa
IUPAC Name	2-chloroanthracene
InChI Key	OWFINXQLBMJDJQ-UHFFFAOYSA-N
Molecular Formula	C14H9Cl

7,888

1-(Azidomethyl)pyrene 98.0+%, TCI America™

CAS: 1006061-57-9 Molecular Formula: C17H11N3 Molecular Weight (g/mol): 257.296 InChI Key: WLKXPQFZTSRGHP-UHFFFAOYSA-N PubChem CID: 89183461 IUPAC Name: diazonio(pyren-1-ylmethyl)azanide SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C[N-][N+]#N

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Specifications

PubChem CID	89183461
CAS	1006061-57-9
Molecular Weight (g/mol)	257.296
SMILES	C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C[N-][N+]#N
IUPAC Name	diazonio(pyren-1-ylmethyl)azanide
InChI Key	WLKXPQFZTSRGHP-UHFFFAOYSA-N
Molecular Formula	C17H11N3

7,889

2-Methyl-4-nitroaniline 98.0+%, TCI America™

CAS: 99-52-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007734 InChI Key: XTTIQGSLJBWVIV-UHFFFAOYSA-N Synonym: 2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl PubChem CID: 7441 IUPAC Name: 2-methyl-4-nitroaniline SMILES: CC1=CC(=CC=C1N)[N+]([O-])=O

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Specifications

PubChem CID	7441
CAS	99-52-5
Molecular Weight (g/mol)	152.15
MDL Number	MFCD00007734
SMILES	CC1=CC(=CC=C1N)[N+]([O-])=O
Synonym	2-amino-5-nitrotoluene,4-nitro-o-toluidine,5-nitro-2-aminotoluene,p-nitro-o-toluidine,benzenamine, 2-methyl-4-nitro,fast red rl base,1-amino-2-methyl-4-nitrobenzene,diabase red rl,ansibases red rl,devol red rl
IUPAC Name	2-methyl-4-nitroaniline
InChI Key	XTTIQGSLJBWVIV-UHFFFAOYSA-N
Molecular Formula	C7H8N2O2

7,890

1,4-Bis(bromomethyl)-2,5-dimethylbenzene 98.0+%, TCI America™

CAS: 35168-62-8 Molecular Formula: C10H12Br2 Molecular Weight (g/mol): 292.014 MDL Number: MFCD04038409 InChI Key: MUSYLRHTIZVVCB-UHFFFAOYSA-N Synonym: 2,5-Bis(bromomethyl)-p-xylene, 2,5-Dimethyl-1,4-bis(bromomethyl)benzene PubChem CID: 3015742 IUPAC Name: 1,4-bis(bromomethyl)-2,5-dimethylbenzene SMILES: CC1=CC(=C(C=C1CBr)C)CBr

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Specifications

PubChem CID	3015742
CAS	35168-62-8
Molecular Weight (g/mol)	292.014
MDL Number	MFCD04038409
SMILES	CC1=CC(=C(C=C1CBr)C)CBr
Synonym	2,5-Bis(bromomethyl)-p-xylene, 2,5-Dimethyl-1,4-bis(bromomethyl)benzene
IUPAC Name	1,4-bis(bromomethyl)-2,5-dimethylbenzene
InChI Key	MUSYLRHTIZVVCB-UHFFFAOYSA-N
Molecular Formula	C10H12Br2

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