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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 (98)
Naphthalenes (11)
Phenols (6)
Unsubstituted Phenols (4)
Anthracenes (2)
Pyrenes (2)
Fluorenes (1)
Phenol esters (1)

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1 – 15 of 111 results
1

Cumene 99.0+%, TCI America™

CAS: 98-82-8 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.195 MDL Number: MFCD00008881 InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N Synonym: isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano PubChem CID: 7406 ChEBI: CHEBI:34656 IUPAC Name: cumene SMILES: CC(C)C1=CC=CC=C1

PubChem CID 7406
CAS 98-82-8
Molecular Weight (g/mol) 120.195
ChEBI CHEBI:34656
MDL Number MFCD00008881
SMILES CC(C)C1=CC=CC=C1
Synonym isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano
IUPAC Name cumene
InChI Key RWGFKTVRMDUZSP-UHFFFAOYSA-N
Molecular Formula C9H12
2

1,5-Dibromoanthracene 97.0+%, TCI America™

CAS: 3278-82-8 Molecular Formula: C14H8Br2 Molecular Weight (g/mol): 336.026 InChI Key: DIMYVOCPPKNNPF-UHFFFAOYSA-N PubChem CID: 14923878 IUPAC Name: 1,5-dibromoanthracene SMILES: C1=CC2=CC3=C(C=CC=C3Br)C=C2C(=C1)Br

PubChem CID 14923878
CAS 3278-82-8
Molecular Weight (g/mol) 336.026
SMILES C1=CC2=CC3=C(C=CC=C3Br)C=C2C(=C1)Br
IUPAC Name 1,5-dibromoanthracene
InChI Key DIMYVOCPPKNNPF-UHFFFAOYSA-N
Molecular Formula C14H8Br2
3

1-Nitroanthraquinone 98.0+%, TCI America™

CAS: 82-34-8 Molecular Formula: C14H7NO4 Molecular Weight (g/mol): 253.213 MDL Number: MFCD00019140 InChI Key: YCANAXVBJKNANM-UHFFFAOYSA-N PubChem CID: 6704 IUPAC Name: 1-nitroanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

PubChem CID 6704
CAS 82-34-8
Molecular Weight (g/mol) 253.213
MDL Number MFCD00019140
SMILES C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]
IUPAC Name 1-nitroanthracene-9,10-dione
InChI Key YCANAXVBJKNANM-UHFFFAOYSA-N
Molecular Formula C14H7NO4
4

1,3,5-Triisopropylbenzene 95.0+%, TCI America™

CAS: 717-74-8 Molecular Formula: C15H24 Molecular Weight (g/mol): 204.357 MDL Number: MFCD00008890 InChI Key: VUMCUSHVMYIRMB-UHFFFAOYSA-N Synonym: 1,3,5-triisopropylbenzene,2,4,6-triisopropylbenzene,benzene, 1,3,5-tris 1-methylethyl,1,3,5-tris propan-2-yl benzene,unii-fr9y346wpb,benzene, 1,3,5-triisopropyl,fr9y346wpb,benzene, tris 1-methylethyl,pubchem13720,1,5-triisopropylbenzene PubChem CID: 12860 IUPAC Name: 1,3,5-tri(propan-2-yl)benzene SMILES: CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C

PubChem CID 12860
CAS 717-74-8
Molecular Weight (g/mol) 204.357
MDL Number MFCD00008890
SMILES CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C
Synonym 1,3,5-triisopropylbenzene,2,4,6-triisopropylbenzene,benzene, 1,3,5-tris 1-methylethyl,1,3,5-tris propan-2-yl benzene,unii-fr9y346wpb,benzene, 1,3,5-triisopropyl,fr9y346wpb,benzene, tris 1-methylethyl,pubchem13720,1,5-triisopropylbenzene
IUPAC Name 1,3,5-tri(propan-2-yl)benzene
InChI Key VUMCUSHVMYIRMB-UHFFFAOYSA-N
Molecular Formula C15H24
5

2,4-Dichlorobenzyl Alcohol 97.0+%, TCI America™

CAS: 1777-82-8 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 MDL Number: MFCD00004606 InChI Key: DBHODFSFBXJZNY-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzyl alcohol,2,4-dichlorophenyl methanol,dybenal,2,4-dichlorobenzenemethanol,rapidosept,myacide sp,benzenemethanol, 2,4-dichloro,benzyl alcohol, 2,4-dichloro,unii-1nkx3648j9,2,4-dichlorobenzylalcohol PubChem CID: 15684 ChEBI: CHEBI:48220 IUPAC Name: (2,4-dichlorophenyl)methanol SMILES: C1=CC(=C(C=C1Cl)Cl)CO

PubChem CID 15684
CAS 1777-82-8
Molecular Weight (g/mol) 177.024
ChEBI CHEBI:48220
MDL Number MFCD00004606
SMILES C1=CC(=C(C=C1Cl)Cl)CO
Synonym 2,4-dichlorobenzyl alcohol,2,4-dichlorophenyl methanol,dybenal,2,4-dichlorobenzenemethanol,rapidosept,myacide sp,benzenemethanol, 2,4-dichloro,benzyl alcohol, 2,4-dichloro,unii-1nkx3648j9,2,4-dichlorobenzylalcohol
IUPAC Name (2,4-dichlorophenyl)methanol
InChI Key DBHODFSFBXJZNY-UHFFFAOYSA-N
Molecular Formula C7H6Cl2O
6

4-(Hydroxymethyl)phenylacetic Acid 97.0+%, TCI America™

CAS: 73401-74-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00065692 InChI Key: FWZBPBKAANKOJQ-UHFFFAOYSA-N PubChem CID: 3283498 IUPAC Name: 2-[4-(hydroxymethyl)phenyl]acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)CO

PubChem CID 3283498
CAS 73401-74-8
Molecular Weight (g/mol) 166.176
MDL Number MFCD00065692
SMILES C1=CC(=CC=C1CC(=O)O)CO
IUPAC Name 2-[4-(hydroxymethyl)phenyl]acetic acid
InChI Key FWZBPBKAANKOJQ-UHFFFAOYSA-N
Molecular Formula C9H10O3
7

1,3,6,8-Tetraphenylpyrene 98.0+%, TCI America™

CAS: 13638-82-9 Molecular Formula: C40H26 Molecular Weight (g/mol): 506.648 MDL Number: MFCD00021662 InChI Key: SIJHJHYRYHIWFW-UHFFFAOYSA-N PubChem CID: 256832 IUPAC Name: 1,3,6,8-tetraphenylpyrene SMILES: C1=CC=C(C=C1)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

PubChem CID 256832
CAS 13638-82-9
Molecular Weight (g/mol) 506.648
MDL Number MFCD00021662
SMILES C1=CC=C(C=C1)C2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8
IUPAC Name 1,3,6,8-tetraphenylpyrene
InChI Key SIJHJHYRYHIWFW-UHFFFAOYSA-N
Molecular Formula C40H26
8

3,4'-Diamino-4-nitrodiphenyl Ether 98.0+%, TCI America™

CAS: 30491-74-8 Molecular Formula: C12H11N3O3 Molecular Weight (g/mol): 245.24 MDL Number: MFCD15072156 InChI Key: ZHELWQKSRPWTPN-UHFFFAOYSA-N PubChem CID: 13705242 IUPAC Name: 5-(4-aminophenoxy)-2-nitroaniline SMILES: NC1=CC=C(OC2=CC(N)=C(C=C2)[N+]([O-])=O)C=C1

PubChem CID 13705242
CAS 30491-74-8
Molecular Weight (g/mol) 245.24
MDL Number MFCD15072156
SMILES NC1=CC=C(OC2=CC(N)=C(C=C2)[N+]([O-])=O)C=C1
IUPAC Name 5-(4-aminophenoxy)-2-nitroaniline
InChI Key ZHELWQKSRPWTPN-UHFFFAOYSA-N
Molecular Formula C12H11N3O3
9

2,5-Bis(trifluoromethyl)benzoyl Chloride 98.0+%, TCI America™

CAS: 393-82-8 Molecular Formula: C9H3ClF6O Molecular Weight (g/mol): 276.562 MDL Number: MFCD00074997 InChI Key: LRJNPOCQOZWIGR-UHFFFAOYSA-N PubChem CID: 2737812 IUPAC Name: 2,5-bis(trifluoromethyl)benzoyl chloride SMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)Cl)C(F)(F)F

PubChem CID 2737812
CAS 393-82-8
Molecular Weight (g/mol) 276.562
MDL Number MFCD00074997
SMILES C1=CC(=C(C=C1C(F)(F)F)C(=O)Cl)C(F)(F)F
IUPAC Name 2,5-bis(trifluoromethyl)benzoyl chloride
InChI Key LRJNPOCQOZWIGR-UHFFFAOYSA-N
Molecular Formula C9H3ClF6O
10

4-Hexyloxyphthalonitrile 95.0+%, TCI America™

CAS: 104949-82-8 Molecular Formula: C14H16N2O Molecular Weight (g/mol): 228.295 MDL Number: MFCD00059077 InChI Key: BMXSATBWGFIAPA-UHFFFAOYSA-N Synonym: 1,2-Dicyano-4-hexyloxybenzene PubChem CID: 538284 IUPAC Name: 4-hexoxybenzene-1,2-dicarbonitrile SMILES: CCCCCCOC1=CC(=C(C=C1)C#N)C#N

PubChem CID 538284
CAS 104949-82-8
Molecular Weight (g/mol) 228.295
MDL Number MFCD00059077
SMILES CCCCCCOC1=CC(=C(C=C1)C#N)C#N
Synonym 1,2-Dicyano-4-hexyloxybenzene
IUPAC Name 4-hexoxybenzene-1,2-dicarbonitrile
InChI Key BMXSATBWGFIAPA-UHFFFAOYSA-N
Molecular Formula C14H16N2O
11

2,3,4,5-Tetrachlorobenzoic Acid 97.0+%, TCI America™

CAS: 50-74-8 Molecular Formula: C7H2Cl4O2 Molecular Weight (g/mol): 259.89 MDL Number: MFCD00061126 InChI Key: FUXMTEKFGUWSNC-UHFFFAOYSA-N PubChem CID: 5782 IUPAC Name: 2,3,4,5-tetrachlorobenzoic acid SMILES: OC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl

PubChem CID 5782
CAS 50-74-8
Molecular Weight (g/mol) 259.89
MDL Number MFCD00061126
SMILES OC(=O)C1=CC(Cl)=C(Cl)C(Cl)=C1Cl
IUPAC Name 2,3,4,5-tetrachlorobenzoic acid
InChI Key FUXMTEKFGUWSNC-UHFFFAOYSA-N
Molecular Formula C7H2Cl4O2
12

6-Fluoro-o-anisaldehyde 98.0+%, TCI America™

CAS: 146137-74-8 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD01090998 InChI Key: UIOAYOIJMYMOEU-UHFFFAOYSA-N Synonym: 2-methoxy-6-fluorobenzaldehyde,6-fluoro-o-anisaldehyde,2-fluoro-6-methoxy-benzaldehyde,2-fluoro-6-mehoxybenzaldehyde,benzaldehyde, 2-fluoro-6-methoxy,2-fluoro-6-methoxybenzaldehyde,pubchem8486,acmc-209yud,3-fluoro-2-formylanisole,intermediates-zcf02117 PubChem CID: 2737357 IUPAC Name: 2-fluoro-6-methoxybenzaldehyde SMILES: COC1=C(C=O)C(F)=CC=C1

PubChem CID 2737357
CAS 146137-74-8
Molecular Weight (g/mol) 154.14
MDL Number MFCD01090998
SMILES COC1=C(C=O)C(F)=CC=C1
Synonym 2-methoxy-6-fluorobenzaldehyde,6-fluoro-o-anisaldehyde,2-fluoro-6-methoxy-benzaldehyde,2-fluoro-6-mehoxybenzaldehyde,benzaldehyde, 2-fluoro-6-methoxy,2-fluoro-6-methoxybenzaldehyde,pubchem8486,acmc-209yud,3-fluoro-2-formylanisole,intermediates-zcf02117
IUPAC Name 2-fluoro-6-methoxybenzaldehyde
InChI Key UIOAYOIJMYMOEU-UHFFFAOYSA-N
Molecular Formula C8H7FO2
13

8-Amino-1-naphthalenesulfonic Acid 98.0+%, TCI America™

CAS: 82-75-7 Molecular Formula: C10H9NO3S Molecular Weight (g/mol): 223.246 MDL Number: MFCD00035730 InChI Key: CYJJLCDCWVZEDZ-UHFFFAOYSA-N Synonym: peri acid,8-amino-1-naphthalenesulfonic acid,1-naphthylamine-8-sulfonic acid,1-naphthalenesulfonic acid, 8-amino,8-aminonaphthalene-1-sulphonic acid,naphthylaminemonosulfonic acid s,1-amino-8-naphthalene sulfonate,1-aminonaphthalene-8-sulfonic acid,schollkopf's acid van,schollkopf's acid PubChem CID: 6722 IUPAC Name: 8-aminonaphthalene-1-sulfonic acid SMILES: C1=CC2=C(C(=C1)N)C(=CC=C2)S(=O)(=O)O

PubChem CID 6722
CAS 82-75-7
Molecular Weight (g/mol) 223.246
MDL Number MFCD00035730
SMILES C1=CC2=C(C(=C1)N)C(=CC=C2)S(=O)(=O)O
Synonym peri acid,8-amino-1-naphthalenesulfonic acid,1-naphthylamine-8-sulfonic acid,1-naphthalenesulfonic acid, 8-amino,8-aminonaphthalene-1-sulphonic acid,naphthylaminemonosulfonic acid s,1-amino-8-naphthalene sulfonate,1-aminonaphthalene-8-sulfonic acid,schollkopf's acid van,schollkopf's acid
IUPAC Name 8-aminonaphthalene-1-sulfonic acid
InChI Key CYJJLCDCWVZEDZ-UHFFFAOYSA-N
Molecular Formula C10H9NO3S
14

(R)-(+)-1-Phenyl-1-propanol 98.0+%, TCI America™

CAS: 1565-74-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00064279 InChI Key: DYUQAZSOFZSPHD-SECBINFHSA-N Synonym: r-+-1-phenyl-1-propanol,r-1-phenylpropan-1-ol,1r-1-phenylpropan-1-ol,r-1-phenyl-1-propanol,r-1-phenyl-propanol,r-+-alpha-ethylbenzyl alcohol,r-+-1-phenylpropanol,r-1-phenylpropanol,1-phenyl-1-propanol #,r-1-phenyl-1propanol PubChem CID: 640199 IUPAC Name: (1R)-1-phenylpropan-1-ol SMILES: CCC(C1=CC=CC=C1)O

PubChem CID 640199
CAS 1565-74-8
Molecular Weight (g/mol) 136.194
MDL Number MFCD00064279
SMILES CCC(C1=CC=CC=C1)O
Synonym r-+-1-phenyl-1-propanol,r-1-phenylpropan-1-ol,1r-1-phenylpropan-1-ol,r-1-phenyl-1-propanol,r-1-phenyl-propanol,r-+-alpha-ethylbenzyl alcohol,r-+-1-phenylpropanol,r-1-phenylpropanol,1-phenyl-1-propanol #,r-1-phenyl-1propanol
IUPAC Name (1R)-1-phenylpropan-1-ol
InChI Key DYUQAZSOFZSPHD-SECBINFHSA-N
Molecular Formula C9H12O
15

8-Anilino-1-naphthalenesulfonic Acid 95.0+%, TCI America™

CAS: 82-76-8 Molecular Formula: C16H13NO3S Molecular Weight (g/mol): 299.344 MDL Number: MFCD00003998 InChI Key: FWEOQOXTVHGIFQ-UHFFFAOYSA-N Synonym: 8-anilino-1-naphthalenesulfonic acid,phenylperi acid,n-phenyl peri acid,8-phenylamino naphthalene-1-sulfonic acid,1-anilino-8-naphthalenesulfonate,1-anilino-8-naphthalenesulfonic acid,peri acid, phenyl,1-naphthalenesulfonic acid, 8-phenylamino,1-anilinonaphthalene-8-sulfonic acid,8-anilino-1-naphthalene sulfonic acid PubChem CID: 1369 ChEBI: CHEBI:39708 IUPAC Name: 8-anilinonaphthalene-1-sulfonic acid SMILES: C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O

PubChem CID 1369
CAS 82-76-8
Molecular Weight (g/mol) 299.344
ChEBI CHEBI:39708
MDL Number MFCD00003998
SMILES C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O
Synonym 8-anilino-1-naphthalenesulfonic acid,phenylperi acid,n-phenyl peri acid,8-phenylamino naphthalene-1-sulfonic acid,1-anilino-8-naphthalenesulfonate,1-anilino-8-naphthalenesulfonic acid,peri acid, phenyl,1-naphthalenesulfonic acid, 8-phenylamino,1-anilinonaphthalene-8-sulfonic acid,8-anilino-1-naphthalene sulfonic acid
IUPAC Name 8-anilinonaphthalene-1-sulfonic acid
InChI Key FWEOQOXTVHGIFQ-UHFFFAOYSA-N
Molecular Formula C16H13NO3S