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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 (261)
Phenols (28)
Naphthalenes (20)
Phenol esters (16)
Triphenyl compounds (4)
Dibenzocycloheptenes (2)
Tetralins (2)
1-hydroxylamino 2-unsubstituted benzenoids (1)
Fluorenes (1)
Unsubstituted Phenols (1)

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1 – 15 of 301 results
1

p-Anisaldehyde 99.0+%, TCI America™

CAS: 123-11-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O

EDGE
PubChem CID 31244
CAS 123-11-5
Molecular Weight (g/mol) 136.15
ChEBI CHEBI:28235
MDL Number MFCD00003385
SMILES COC1=CC=C(C=C1)C=O
Synonym p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine
IUPAC Name 4-methoxybenzaldehyde
InChI Key ZRSNZINYAWTAHE-UHFFFAOYSA-N
Molecular Formula C8H8O2
2

4-Fluorobenzyl Chloride 98.0+%, TCI America™

CAS: 352-11-4 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00000913 InChI Key: IZXWCDITFDNEBY-UHFFFAOYSA-N Synonym: 4-fluorobenzyl chloride,1-chloromethyl-4-fluorobenzene,alpha-chloro-p-fluorotoluene,p-fluorobenzyl chloride,4-fluorobenzylchloride,benzene, 1-chloromethyl-4-fluoro,1-chloromethyl-4-fluoro-benzene,alpha-chloro-4-fluorotoluene,ccris 5107,chloro-4-fluorotoluene PubChem CID: 9602 IUPAC Name: 1-(chloromethyl)-4-fluorobenzene SMILES: C1=CC(=CC=C1CCl)F

PubChem CID 9602
CAS 352-11-4
Molecular Weight (g/mol) 144.573
MDL Number MFCD00000913
SMILES C1=CC(=CC=C1CCl)F
Synonym 4-fluorobenzyl chloride,1-chloromethyl-4-fluorobenzene,alpha-chloro-p-fluorotoluene,p-fluorobenzyl chloride,4-fluorobenzylchloride,benzene, 1-chloromethyl-4-fluoro,1-chloromethyl-4-fluoro-benzene,alpha-chloro-4-fluorotoluene,ccris 5107,chloro-4-fluorotoluene
IUPAC Name 1-(chloromethyl)-4-fluorobenzene
InChI Key IZXWCDITFDNEBY-UHFFFAOYSA-N
Molecular Formula C7H6ClF
3

3,4-Difluoroaniline 98.0+%, TCI America™

CAS: 3863-11-4 Molecular Formula: C6H5F2N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00007761 InChI Key: AXNUZKSSQHTNPZ-UHFFFAOYSA-N Synonym: 3,4-difluorobenzenamine,benzenamine, 3,4-difluoro,3,4-difluoro-phenylamine,3,4-difluorophenyl amine,3,4-difluoro aniline,3,4-difluorophenylamine,3,4-difluoranilin,3,4-difloroaniline,3,4-difluroaniline,3.4-difluoroaniline PubChem CID: 77469 IUPAC Name: 3,4-difluoroaniline SMILES: C1=CC(=C(C=C1N)F)F

PubChem CID 77469
CAS 3863-11-4
Molecular Weight (g/mol) 129.11
MDL Number MFCD00007761
SMILES C1=CC(=C(C=C1N)F)F
Synonym 3,4-difluorobenzenamine,benzenamine, 3,4-difluoro,3,4-difluoro-phenylamine,3,4-difluorophenyl amine,3,4-difluoro aniline,3,4-difluorophenylamine,3,4-difluoranilin,3,4-difloroaniline,3,4-difluroaniline,3.4-difluoroaniline
IUPAC Name 3,4-difluoroaniline
InChI Key AXNUZKSSQHTNPZ-UHFFFAOYSA-N
Molecular Formula C6H5F2N
4

4-Nitrophenoxyacetic Acid 98.0+%, TCI America™

CAS: 1798-11-4 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00017030 InChI Key: AVDLFIONKHGQAP-UHFFFAOYSA-N Synonym: 4-nitrophenoxyacetic acid,2-4-nitrophenoxy acetic acid,4-nitrophenoxy acetic acid,p-nitrophenoxyacetic acid,acetic acid, 4-nitrophenoxy,4-nitro-phenoxy-acetic acid,acetic acid, p-nitrophenoxy,acetic acid, 2-4-nitrophenoxy,acmc-209efx PubChem CID: 15720 SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)O

PubChem CID 15720
CAS 1798-11-4
Molecular Weight (g/mol) 197.146
MDL Number MFCD00017030
SMILES C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)O
Synonym 4-nitrophenoxyacetic acid,2-4-nitrophenoxy acetic acid,4-nitrophenoxy acetic acid,p-nitrophenoxyacetic acid,acetic acid, 4-nitrophenoxy,4-nitro-phenoxy-acetic acid,acetic acid, p-nitrophenoxy,acetic acid, 2-4-nitrophenoxy,acmc-209efx
InChI Key AVDLFIONKHGQAP-UHFFFAOYSA-N
Molecular Formula C8H7NO5
5

(4-Hydroxyphenyl)diphenylmethanol 98.0+%, TCI America™

CAS: 15658-11-4 Molecular Formula: C19H16O2 Molecular Weight (g/mol): 276.335 InChI Key: QEIRHBKKYVWAOM-UHFFFAOYSA-N Synonym: 4-Hydroxytrityl Alcohol PubChem CID: 263208 IUPAC Name: 4-[hydroxy(diphenyl)methyl]phenol SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)O)O

PubChem CID 263208
CAS 15658-11-4
Molecular Weight (g/mol) 276.335
SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)O)O
Synonym 4-Hydroxytrityl Alcohol
IUPAC Name 4-[hydroxy(diphenyl)methyl]phenol
InChI Key QEIRHBKKYVWAOM-UHFFFAOYSA-N
Molecular Formula C19H16O2
6

3,4-Dihydroxybenzophenone 98.0+%, TCI America™

CAS: 10425-11-3 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00477203 InChI Key: ARWCZKJISXFBGI-UHFFFAOYSA-N Synonym: 3,4-dihydroxybenzophenone,3,4-dihydroxyphenyl phenyl methanone,3,4-dihydroxyphenyl phenylmethanone,methanone, 3,4-dihydroxyphenyl phenyl,3,4-dihydroxy-diphenyl ketone,3,4-dihydroxyphenyl-phenylmethanone,4-benzoylbenzene-1,2-diol,3,4-dihydroxyphenyl phenyl ketone,4-benzoylpyrocatechol,pubchem3385 PubChem CID: 165870 IUPAC Name: (3,4-dihydroxyphenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)O)O

PubChem CID 165870
CAS 10425-11-3
Molecular Weight (g/mol) 214.22
MDL Number MFCD00477203
SMILES C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)O)O
Synonym 3,4-dihydroxybenzophenone,3,4-dihydroxyphenyl phenyl methanone,3,4-dihydroxyphenyl phenylmethanone,methanone, 3,4-dihydroxyphenyl phenyl,3,4-dihydroxy-diphenyl ketone,3,4-dihydroxyphenyl-phenylmethanone,4-benzoylbenzene-1,2-diol,3,4-dihydroxyphenyl phenyl ketone,4-benzoylpyrocatechol,pubchem3385
IUPAC Name (3,4-dihydroxyphenyl)-phenylmethanone
InChI Key ARWCZKJISXFBGI-UHFFFAOYSA-N
Molecular Formula C13H10O3
7

4-sec-Butylaniline 98.0+%, TCI America™

CAS: 30273-11-1 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.24 MDL Number: MFCD00010223 InChI Key: NVVVQTNTLIAISI-UHFFFAOYNA-N PubChem CID: 121771 IUPAC Name: 4-(butan-2-yl)aniline SMILES: CCC(C)C1=CC=C(N)C=C1

PubChem CID 121771
CAS 30273-11-1
Molecular Weight (g/mol) 149.24
MDL Number MFCD00010223
SMILES CCC(C)C1=CC=C(N)C=C1
IUPAC Name 4-(butan-2-yl)aniline
InChI Key NVVVQTNTLIAISI-UHFFFAOYNA-N
Molecular Formula C10H15N
8

4-Chlorobenzoic Acid 99.0+%, TCI America™

CAS: 74-11-3 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002531 InChI Key: XRHGYUZYPHTUJZ-UHFFFAOYSA-N Synonym: p-chlorobenzoic acid,benzoic acid, 4-chloro,p-chlorbenzoic acid,chlorodracylic acid,benzoic acid, p-chloro,para-chlorobenzoic acid,4-chloro-benzoic acid,p-carboxychlorobenzene,acido p-clorobenzoico,acido p-clorobenzoico italian PubChem CID: 6318 ChEBI: CHEBI:30747 IUPAC Name: 4-chlorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)Cl

PubChem CID 6318
CAS 74-11-3
Molecular Weight (g/mol) 156.565
ChEBI CHEBI:30747
MDL Number MFCD00002531
SMILES C1=CC(=CC=C1C(=O)O)Cl
Synonym p-chlorobenzoic acid,benzoic acid, 4-chloro,p-chlorbenzoic acid,chlorodracylic acid,benzoic acid, p-chloro,para-chlorobenzoic acid,4-chloro-benzoic acid,p-carboxychlorobenzene,acido p-clorobenzoico,acido p-clorobenzoico italian
IUPAC Name 4-chlorobenzoic acid
InChI Key XRHGYUZYPHTUJZ-UHFFFAOYSA-N
Molecular Formula C7H5ClO2
9

4-Chloro-N-methylbenzylamine 97.0+%, TCI America™

CAS: 104-11-0 Molecular Formula: C8H10ClN Molecular Weight (g/mol): 155.625 MDL Number: MFCD00018749 InChI Key: LMBUJNXYGGNSAH-UHFFFAOYSA-N Synonym: 4-chloro-n-methylbenzylamine,n-methyl-4-chlorobenzylamine,1-4-chlorophenyl-n-methylmethanamine,n-4-chlorobenzyl-n-methylamine,4-chloro-benzyl-methyl-amine,4-chlorophenyl methyl methyl amine,4-chlorobenzyl methylamine,benzenemethanamine, 4-chloro-n-methyl,4-chlorobenzylmethylamine,p-chloro-n-methylbenzylamine PubChem CID: 66905 IUPAC Name: 1-(4-chlorophenyl)-N-methylmethanamine SMILES: CNCC1=CC=C(C=C1)Cl

PubChem CID 66905
CAS 104-11-0
Molecular Weight (g/mol) 155.625
MDL Number MFCD00018749
SMILES CNCC1=CC=C(C=C1)Cl
Synonym 4-chloro-n-methylbenzylamine,n-methyl-4-chlorobenzylamine,1-4-chlorophenyl-n-methylmethanamine,n-4-chlorobenzyl-n-methylamine,4-chloro-benzyl-methyl-amine,4-chlorophenyl methyl methyl amine,4-chlorobenzyl methylamine,benzenemethanamine, 4-chloro-n-methyl,4-chlorobenzylmethylamine,p-chloro-n-methylbenzylamine
IUPAC Name 1-(4-chlorophenyl)-N-methylmethanamine
InChI Key LMBUJNXYGGNSAH-UHFFFAOYSA-N
Molecular Formula C8H10ClN
10

N-Benzyl-N,N'-dimethylethylenediamine 98.0+%, TCI America™

CAS: 102-11-4 Molecular Formula: C11H18N2 Molecular Weight (g/mol): 178.28 MDL Number: MFCD00014856 InChI Key: PVFIKWLTVKSXED-UHFFFAOYSA-N PubChem CID: 66016 IUPAC Name: benzyl(methyl)[2-(methylamino)ethyl]amine SMILES: CNCCN(C)CC1=CC=CC=C1

PubChem CID 66016
CAS 102-11-4
Molecular Weight (g/mol) 178.28
MDL Number MFCD00014856
SMILES CNCCN(C)CC1=CC=CC=C1
IUPAC Name benzyl(methyl)[2-(methylamino)ethyl]amine
InChI Key PVFIKWLTVKSXED-UHFFFAOYSA-N
Molecular Formula C11H18N2
11

3-Bromo-4-fluorophenol 99.0+%, TCI America™

CAS: 27407-11-0 Molecular Formula: C6H4BrFO Molecular Weight (g/mol): 190.999 MDL Number: MFCD03425884 InChI Key: QWTULQLVGNZMLF-UHFFFAOYSA-N Synonym: 3-bromo-4-fluoro-phenol,phenol, 3-bromo-4-fluoro,pubchem1486,acmc-1cmha,ksc201s9b,3-bromanyl-4-fluoranyl-phenol PubChem CID: 2783381 IUPAC Name: 3-bromo-4-fluorophenol SMILES: C1=CC(=C(C=C1O)Br)F

PubChem CID 2783381
CAS 27407-11-0
Molecular Weight (g/mol) 190.999
MDL Number MFCD03425884
SMILES C1=CC(=C(C=C1O)Br)F
Synonym 3-bromo-4-fluoro-phenol,phenol, 3-bromo-4-fluoro,pubchem1486,acmc-1cmha,ksc201s9b,3-bromanyl-4-fluoranyl-phenol
IUPAC Name 3-bromo-4-fluorophenol
InChI Key QWTULQLVGNZMLF-UHFFFAOYSA-N
Molecular Formula C6H4BrFO
12

4-Chloro-2-nitrobenzaldehyde 98.0+%, TCI America™

CAS: 5551-11-1 Molecular Formula: C7H4ClNO3 Molecular Weight (g/mol): 185.56 MDL Number: MFCD00056104 InChI Key: MZPNQUMLOFWSEK-UHFFFAOYSA-N PubChem CID: 79674 IUPAC Name: 4-chloro-2-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])C=O

PubChem CID 79674
CAS 5551-11-1
Molecular Weight (g/mol) 185.56
MDL Number MFCD00056104
SMILES C1=CC(=C(C=C1Cl)[N+](=O)[O-])C=O
IUPAC Name 4-chloro-2-nitrobenzaldehyde
InChI Key MZPNQUMLOFWSEK-UHFFFAOYSA-N
Molecular Formula C7H4ClNO3
13

4-Fluoro-3-nitrotoluene 98.0+%, TCI America™

CAS: 446-11-7 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00007060 InChI Key: OORBDHOQLZRIQR-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrotoluene,3-nitro-4-fluorotoluene,2-fluoro-5-methylnitrobenzene,4-methyl-2-nitro-1-fluorobenzene,1-fluoro-4-methyl-2-nitro-benzene,benzene, 1-fluoro-4-methyl-2-nitro,pubchem1597,acmc-1aqwi,4-fluro-3-nitrotoluene,4-fluoro-3-nitro toluene PubChem CID: 136287 IUPAC Name: 1-fluoro-4-methyl-2-nitrobenzene SMILES: CC1=CC(=C(C=C1)F)[N+](=O)[O-]

PubChem CID 136287
CAS 446-11-7
Molecular Weight (g/mol) 155.128
MDL Number MFCD00007060
SMILES CC1=CC(=C(C=C1)F)[N+](=O)[O-]
Synonym 4-fluoro-3-nitrotoluene,3-nitro-4-fluorotoluene,2-fluoro-5-methylnitrobenzene,4-methyl-2-nitro-1-fluorobenzene,1-fluoro-4-methyl-2-nitro-benzene,benzene, 1-fluoro-4-methyl-2-nitro,pubchem1597,acmc-1aqwi,4-fluro-3-nitrotoluene,4-fluoro-3-nitro toluene
IUPAC Name 1-fluoro-4-methyl-2-nitrobenzene
InChI Key OORBDHOQLZRIQR-UHFFFAOYSA-N
Molecular Formula C7H6FNO2
14

3-Bromo-4-fluorophenylacetic Acid 97.0+%, TCI America™

CAS: 194019-11-9 Molecular Formula: C8H6BrFO2 Molecular Weight (g/mol): 233.04 MDL Number: MFCD04038373 InChI Key: XXFGIJYSXNXNAU-UHFFFAOYSA-N Synonym: 3-bromo-4-fluorophenylacetic acid,2-3-bromo-4-fluorophenyl acetic acid,3-bromo-4-fluorophenylaceticacid,3-bromo-4-fluorophenyl acetic acid,benzeneacetic acid, 3-bromo-4-fluoro,3-bromo-4-fluoro-phenyl-acetic acid,2-3-bromo-4-fluoro-phenyl acetic acid,acmc-209exn,ksc497i4b,61150-59-2 3-bromo-4-fluorophenylacetic acid PubChem CID: 3416339 IUPAC Name: 2-(3-bromo-4-fluorophenyl)acetic acid SMILES: OC(=O)CC1=CC(Br)=C(F)C=C1

PubChem CID 3416339
CAS 194019-11-9
Molecular Weight (g/mol) 233.04
MDL Number MFCD04038373
SMILES OC(=O)CC1=CC(Br)=C(F)C=C1
Synonym 3-bromo-4-fluorophenylacetic acid,2-3-bromo-4-fluorophenyl acetic acid,3-bromo-4-fluorophenylaceticacid,3-bromo-4-fluorophenyl acetic acid,benzeneacetic acid, 3-bromo-4-fluoro,3-bromo-4-fluoro-phenyl-acetic acid,2-3-bromo-4-fluoro-phenyl acetic acid,acmc-209exn,ksc497i4b,61150-59-2 3-bromo-4-fluorophenylacetic acid
IUPAC Name 2-(3-bromo-4-fluorophenyl)acetic acid
InChI Key XXFGIJYSXNXNAU-UHFFFAOYSA-N
Molecular Formula C8H6BrFO2
15

4-Bromo-2-nitrophenylacetic Acid 97.0+%, TCI America™

CAS: 6127-11-3 Molecular Formula: C8H5BrNO4 Molecular Weight (g/mol): 259.04 MDL Number: MFCD05663950 InChI Key: LBZPHZBNFDOCCR-UHFFFAOYSA-M PubChem CID: 271551 SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])CC(=O)O

PubChem CID 271551
CAS 6127-11-3
Molecular Weight (g/mol) 259.04
MDL Number MFCD05663950
SMILES C1=CC(=C(C=C1Br)[N+](=O)[O-])CC(=O)O
InChI Key LBZPHZBNFDOCCR-UHFFFAOYSA-M
Molecular Formula C8H5BrNO4