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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 (148)
Phenols (19)
Naphthalenes (7)
Unsubstituted Phenols (1)

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1 – 15 of 150 results
1

Ebastine 98.0+%, TCI America™
SDP

CAS: 90729-43-4 Molecular Formula: C32H39NO2 Molecular Weight (g/mol): 469.669 MDL Number: MFCD00865661 InChI Key: MJJALKDDGIKVBE-UHFFFAOYSA-N Synonym: ebastine,kestine,ebastel,ebastin,kestin,evastel,bactil,ebastinum latin,las w-090,ebastina spanish PubChem CID: 3191 IUPAC Name: 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4

PubChem CID 3191
CAS 90729-43-4
Molecular Weight (g/mol) 469.669
MDL Number MFCD00865661
SMILES CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4
Synonym ebastine,kestine,ebastel,ebastin,kestin,evastel,bactil,ebastinum latin,las w-090,ebastina spanish
IUPAC Name 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one
InChI Key MJJALKDDGIKVBE-UHFFFAOYSA-N
Molecular Formula C32H39NO2
2

4-Benzyloxybenzyl Alcohol 95.0+%, TCI America™
SDP

CAS: 836-43-1 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00004654 InChI Key: OEBIVOHKFYSBPE-UHFFFAOYSA-N Synonym: 4-benzyloxybenzyl alcohol,4-benzyloxy phenyl methanol,p-benzyloxybenzyl alcohol,4-benzyloxybenzylalcohol,4-benzyloxy benzyl alcohol,benzenemethanol, 4-phenylmethoxy,p-alkoxybenzyl alcohol resin,4-phenylmethoxyphenyl methanol,argopore-wang PubChem CID: 70043 ChEBI: CHEBI:29486 IUPAC Name: [4-(benzyloxy)phenyl]methanol SMILES: OCC1=CC=C(OCC2=CC=CC=C2)C=C1

PubChem CID 70043
CAS 836-43-1
Molecular Weight (g/mol) 214.26
ChEBI CHEBI:29486
MDL Number MFCD00004654
SMILES OCC1=CC=C(OCC2=CC=CC=C2)C=C1
Synonym 4-benzyloxybenzyl alcohol,4-benzyloxy phenyl methanol,p-benzyloxybenzyl alcohol,4-benzyloxybenzylalcohol,4-benzyloxy benzyl alcohol,benzenemethanol, 4-phenylmethoxy,p-alkoxybenzyl alcohol resin,4-phenylmethoxyphenyl methanol,argopore-wang
IUPAC Name [4-(benzyloxy)phenyl]methanol
InChI Key OEBIVOHKFYSBPE-UHFFFAOYSA-N
Molecular Formula C14H14O2
3

4-Fluorobenzoyl Chloride 97.0+%, TCI America™
SDP

CAS: 403-43-0 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00000684 InChI Key: CZKLEJHVLCMVQR-UHFFFAOYSA-N Synonym: benzoyl chloride, 4-fluoro,p-fluorobenzoyl chloride,benzoyl chloride, p-fluoro,p-fluorobenzoic acid chloride,4-fluorobenzoylchloride,fluorobenzoyl 4-chloride,4-fluorobenzoic acid chloride,p-fluorobenzoylchloride,p-fluorobenzoyl choride,4-flurobenzoyl chloride PubChem CID: 67879 IUPAC Name: 4-fluorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)F

PubChem CID 67879
CAS 403-43-0
Molecular Weight (g/mol) 158.556
MDL Number MFCD00000684
SMILES C1=CC(=CC=C1C(=O)Cl)F
Synonym benzoyl chloride, 4-fluoro,p-fluorobenzoyl chloride,benzoyl chloride, p-fluoro,p-fluorobenzoic acid chloride,4-fluorobenzoylchloride,fluorobenzoyl 4-chloride,4-fluorobenzoic acid chloride,p-fluorobenzoylchloride,p-fluorobenzoyl choride,4-flurobenzoyl chloride
IUPAC Name 4-fluorobenzoyl chloride
InChI Key CZKLEJHVLCMVQR-UHFFFAOYSA-N
Molecular Formula C7H4ClFO
4

2,3,4,4'-Tetrahydroxydiphenylmethane 95.0+%, TCI America™
SDP

CAS: 174462-43-2 Molecular Formula: C13H12O4 Molecular Weight (g/mol): 232.24 MDL Number: MFCD01321194 InChI Key: NBTCXIZQSZQNKJ-UHFFFAOYSA-N PubChem CID: 21896295 IUPAC Name: 4-[(4-hydroxyphenyl)methyl]benzene-1,2,3-triol SMILES: OC1=CC=C(CC2=C(O)C(O)=C(O)C=C2)C=C1

PubChem CID 21896295
CAS 174462-43-2
Molecular Weight (g/mol) 232.24
MDL Number MFCD01321194
SMILES OC1=CC=C(CC2=C(O)C(O)=C(O)C=C2)C=C1
IUPAC Name 4-[(4-hydroxyphenyl)methyl]benzene-1,2,3-triol
InChI Key NBTCXIZQSZQNKJ-UHFFFAOYSA-N
Molecular Formula C13H12O4
5

p-Phenetidine 98.0+%, TCI America™
SDP

CAS: 156-43-4 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00007865 InChI Key: IMPPGHMHELILKG-UHFFFAOYSA-N Synonym: p-phenetidine,phenetidine,4-aminophenetole,p-ethoxyaniline,p-phenetidin,benzenamine, 4-ethoxy,phenethidine,p-aminophenetole,4-ethoxybenzenamine,1-amino-4-ethoxybenzene PubChem CID: 9076 ChEBI: CHEBI:85505 IUPAC Name: 4-ethoxyaniline SMILES: CCOC1=CC=C(N)C=C1

PubChem CID 9076
CAS 156-43-4
Molecular Weight (g/mol) 137.18
ChEBI CHEBI:85505
MDL Number MFCD00007865
SMILES CCOC1=CC=C(N)C=C1
Synonym p-phenetidine,phenetidine,4-aminophenetole,p-ethoxyaniline,p-phenetidin,benzenamine, 4-ethoxy,phenethidine,p-aminophenetole,4-ethoxybenzenamine,1-amino-4-ethoxybenzene
IUPAC Name 4-ethoxyaniline
InChI Key IMPPGHMHELILKG-UHFFFAOYSA-N
Molecular Formula C8H11NO
6

L-Adrenaline 98.0+%, TCI America™
SDP

CAS: 51-43-4 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.207 MDL Number: MFCD00002204 InChI Key: UCTWMZQNUQWSLP-VIFPVBQESA-N Synonym: epinephrine,l-adrenaline,adrenaline,l-epinephrine,adrenalin,levoepinephrine,epinefrina,--adrenaline,adnephrine,chelafrin PubChem CID: 5816 ChEBI: CHEBI:28918 IUPAC Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol SMILES: CNCC(C1=CC(=C(C=C1)O)O)O

PubChem CID 5816
CAS 51-43-4
Molecular Weight (g/mol) 183.207
ChEBI CHEBI:28918
MDL Number MFCD00002204
SMILES CNCC(C1=CC(=C(C=C1)O)O)O
Synonym epinephrine,l-adrenaline,adrenaline,l-epinephrine,adrenalin,levoepinephrine,epinefrina,--adrenaline,adnephrine,chelafrin
IUPAC Name 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
InChI Key UCTWMZQNUQWSLP-VIFPVBQESA-N
Molecular Formula C9H13NO3
7

4-Bromo-3-fluorobenzaldehyde 98.0+%, TCI America™
SDP

CAS: 133059-43-5 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD03095000 InChI Key: SWHUROFMIMHWKS-UHFFFAOYSA-N Synonym: 3-fluoro-4-bromobenzaldehyde,3-fluoro-4-bromo benzaldehyde,4-bromo-3-fluoro-benzaldehyde,benzaldehyde, 4-bromo-3-fluoro,4-bromo-3-fluoro benzaldehyde,pubchem4033,acmc-209bqp,intermediates-zcf02027,ksc174m4l,3-fluoro-4-bromo-benzaldehyde PubChem CID: 2783411 IUPAC Name: 4-bromo-3-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)Br

PubChem CID 2783411
CAS 133059-43-5
Molecular Weight (g/mol) 203.01
MDL Number MFCD03095000
SMILES C1=CC(=C(C=C1C=O)F)Br
Synonym 3-fluoro-4-bromobenzaldehyde,3-fluoro-4-bromo benzaldehyde,4-bromo-3-fluoro-benzaldehyde,benzaldehyde, 4-bromo-3-fluoro,4-bromo-3-fluoro benzaldehyde,pubchem4033,acmc-209bqp,intermediates-zcf02027,ksc174m4l,3-fluoro-4-bromo-benzaldehyde
IUPAC Name 4-bromo-3-fluorobenzaldehyde
InChI Key SWHUROFMIMHWKS-UHFFFAOYSA-N
Molecular Formula C7H4BrFO
8

1-Chloro-3,5-difluorobenzene 97.0+%, TCI America™
SDP

CAS: 1435-43-4 Molecular Formula: C6H3ClF2 Molecular Weight (g/mol): 148.537 MDL Number: MFCD00041518 InChI Key: RFKBODCWHNDUTJ-UHFFFAOYSA-N PubChem CID: 137000 IUPAC Name: 1-chloro-3,5-difluorobenzene SMILES: C1=C(C=C(C=C1F)Cl)F

PubChem CID 137000
CAS 1435-43-4
Molecular Weight (g/mol) 148.537
MDL Number MFCD00041518
SMILES C1=C(C=C(C=C1F)Cl)F
IUPAC Name 1-chloro-3,5-difluorobenzene
InChI Key RFKBODCWHNDUTJ-UHFFFAOYSA-N
Molecular Formula C6H3ClF2
9

Benzyl(ethyl)dimethylammonium Bis(trifluoromethanesulfonyl)imide 98.0+%, TCI America™
SDP

CAS: 1186103-43-4 Molecular Formula: C13H18F6N2O4S2 Molecular Weight (g/mol): 444.407 InChI Key: IGABCHQKFATAOI-UHFFFAOYSA-N PubChem CID: 87176851 IUPAC Name: benzyl-ethyl-dimethylazanium;bis(trifluoromethylsulfonyl)azanide SMILES: CC[N+](C)(C)CC1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

PubChem CID 87176851
CAS 1186103-43-4
Molecular Weight (g/mol) 444.407
SMILES CC[N+](C)(C)CC1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
IUPAC Name benzyl-ethyl-dimethylazanium;bis(trifluoromethylsulfonyl)azanide
InChI Key IGABCHQKFATAOI-UHFFFAOYSA-N
Molecular Formula C13H18F6N2O4S2
10

2,4,6-Trichlorobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 50-43-1 Molecular Formula: C7H3Cl3O2 Molecular Weight (g/mol): 225.449 MDL Number: MFCD00060699 InChI Key: RAFFVQBMVYYTQS-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f PubChem CID: 5764 IUPAC Name: 2,4,6-trichlorobenzoic acid SMILES: C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl

PubChem CID 5764
CAS 50-43-1
Molecular Weight (g/mol) 225.449
MDL Number MFCD00060699
SMILES C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl
Synonym benzoic acid, 2,4,6-trichloro,unii-0bwg1hx6ck,2,4,6-trichlorobenzoicacid,2,4,6-trichloro-benzoic acid,0bwg1hx6ck,2,4,6-trichlorbenzoes,pubchem18496,acmc-209kme,2,4,6-trichlorobbenzoicacid,ksc270e7f
IUPAC Name 2,4,6-trichlorobenzoic acid
InChI Key RAFFVQBMVYYTQS-UHFFFAOYSA-N
Molecular Formula C7H3Cl3O2
11

4-Hydroxybenzenesulfonamide 97.0+%, TCI America™
SDP

CAS: 1576-43-8 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.186 MDL Number: MFCD00059190 InChI Key: DIRCLGLKRZLKHG-UHFFFAOYSA-N Synonym: p-hydroxybenzenesulfonamide,p-phenolsulfonamide,benzenesulfonamide, 4-hydroxy,4-sulfamoylphenol,benzenesulfonamide, p-hydroxy,4-hydroxyphenylsulfonamide,unii-1iit7r7vpj,p-hydroxybenzenesulphonamide,4-hydroxybenzenesulphonamide,4-hydroxybenzene-1-sulfonamide PubChem CID: 74093 IUPAC Name: 4-hydroxybenzenesulfonamide SMILES: C1=CC(=CC=C1O)S(=O)(=O)N

PubChem CID 74093
CAS 1576-43-8
Molecular Weight (g/mol) 173.186
MDL Number MFCD00059190
SMILES C1=CC(=CC=C1O)S(=O)(=O)N
Synonym p-hydroxybenzenesulfonamide,p-phenolsulfonamide,benzenesulfonamide, 4-hydroxy,4-sulfamoylphenol,benzenesulfonamide, p-hydroxy,4-hydroxyphenylsulfonamide,unii-1iit7r7vpj,p-hydroxybenzenesulphonamide,4-hydroxybenzenesulphonamide,4-hydroxybenzene-1-sulfonamide
IUPAC Name 4-hydroxybenzenesulfonamide
InChI Key DIRCLGLKRZLKHG-UHFFFAOYSA-N
Molecular Formula C6H7NO3S
12

4-(Trifluoromethyl)benzenesulfonamide 98.0+%, TCI America™
SDP

CAS: 830-43-3 Molecular Formula: C7H6F3NO2S Molecular Weight (g/mol): 225.185 MDL Number: MFCD00159251 InChI Key: TVHXQQJDMHKGGK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzenesulfonamide,4-trifluoromethyl benzene-1-sulfonamide,benzenesulfonamide, p-trifluoromethyl,4-trifluoromethylbenzenesulphonamide,p-trifluoromethyl benzenesulfonamide,4-trifluoromethyl benzenesulphonamide,benzenesulfonamide, 4-trifluoromethyl,p-trifluoromethylbenzenesulfonamide,alpha,alpha,alpha-trifluoro-p-toluenesulphonamide,pubchem11767 PubChem CID: 70018 IUPAC Name: 4-(trifluoromethyl)benzenesulfonamide SMILES: C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)N

PubChem CID 70018
CAS 830-43-3
Molecular Weight (g/mol) 225.185
MDL Number MFCD00159251
SMILES C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)N
Synonym 4-trifluoromethyl benzenesulfonamide,4-trifluoromethyl benzene-1-sulfonamide,benzenesulfonamide, p-trifluoromethyl,4-trifluoromethylbenzenesulphonamide,p-trifluoromethyl benzenesulfonamide,4-trifluoromethyl benzenesulphonamide,benzenesulfonamide, 4-trifluoromethyl,p-trifluoromethylbenzenesulfonamide,alpha,alpha,alpha-trifluoro-p-toluenesulphonamide,pubchem11767
IUPAC Name 4-(trifluoromethyl)benzenesulfonamide
InChI Key TVHXQQJDMHKGGK-UHFFFAOYSA-N
Molecular Formula C7H6F3NO2S
13

Isopropyl 4-Aminobenzoate 98.0+%, TCI America™
SDP

CAS: 18144-43-9 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00017108 InChI Key: JWCPZKNBPMSYND-UHFFFAOYSA-N Synonym: isopropyl 4-aminobenzoate,4-amino-benzoic acid isopropyl ester,isopropyl p-aminobenzoate,4-aminobenzoic acid isopropyl ester,benzoic acid, 4-amino-, 1-methylethyl ester,benzoic acid, p-amino-, isopropyl ester,methylethyl 4-aminobenzoate,isopropyl-4-aminobenzoate,4-isopropoxycarbonylaniline,acmc-1brt8 PubChem CID: 87470 IUPAC Name: propan-2-yl 4-aminobenzoate SMILES: CC(C)OC(=O)C1=CC=C(C=C1)N

PubChem CID 87470
CAS 18144-43-9
Molecular Weight (g/mol) 179.219
MDL Number MFCD00017108
SMILES CC(C)OC(=O)C1=CC=C(C=C1)N
Synonym isopropyl 4-aminobenzoate,4-amino-benzoic acid isopropyl ester,isopropyl p-aminobenzoate,4-aminobenzoic acid isopropyl ester,benzoic acid, 4-amino-, 1-methylethyl ester,benzoic acid, p-amino-, isopropyl ester,methylethyl 4-aminobenzoate,isopropyl-4-aminobenzoate,4-isopropoxycarbonylaniline,acmc-1brt8
IUPAC Name propan-2-yl 4-aminobenzoate
InChI Key JWCPZKNBPMSYND-UHFFFAOYSA-N
Molecular Formula C10H13NO2
14

4,4″-Dibromo-1,1':2',1″-terphenyl 98.0+%, TCI America™
SDP

CAS: 24253-43-8 Molecular Formula: C18H12Br2 Molecular Weight (g/mol): 388.102 MDL Number: MFCD28138092 InChI Key: CJNMHWJZCGSVQG-UHFFFAOYSA-N Synonym: 4,4′C′C-Dibromo-o-terphenyl PubChem CID: 12715106 IUPAC Name: 1,2-bis(4-bromophenyl)benzene SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br

PubChem CID 12715106
CAS 24253-43-8
Molecular Weight (g/mol) 388.102
MDL Number MFCD28138092
SMILES C1=CC=C(C(=C1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br
Synonym 4,4′C′C-Dibromo-o-terphenyl
IUPAC Name 1,2-bis(4-bromophenyl)benzene
InChI Key CJNMHWJZCGSVQG-UHFFFAOYSA-N
Molecular Formula C18H12Br2
15

4-Amino-2,3,5,6-tetrafluorobenzoic Acid 97.0+%, TCI America™
SDP

CAS: 944-43-4 Molecular Formula: C7H3F4NO2 Molecular Weight (g/mol): 209.1 MDL Number: MFCD00007647 InChI Key: WTNSXWSOTDBWOR-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluoro-4-aminobenzoic acid,acmc-209rrw,4-amino-2,3,5,6-tetrafluorobenzoicacid,2,3,5,6-tetrafluoro-4-amino-benzoic acid,4-amino-2,3,5,6-tetrafluoro-benzoic acid,benzoic acid,4-amino-2,3,5,6-tetrafluoro,benzoic acid, 4-amino-2,3,5,6-tetrafluoro,4-amino-2,3,5,6-tetrafluorobenzoic acid PubChem CID: 70345 IUPAC Name: 4-amino-2,3,5,6-tetrafluorobenzoic acid SMILES: C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)O

PubChem CID 70345
CAS 944-43-4
Molecular Weight (g/mol) 209.1
MDL Number MFCD00007647
SMILES C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)O
Synonym 2,3,5,6-tetrafluoro-4-aminobenzoic acid,acmc-209rrw,4-amino-2,3,5,6-tetrafluorobenzoicacid,2,3,5,6-tetrafluoro-4-amino-benzoic acid,4-amino-2,3,5,6-tetrafluoro-benzoic acid,benzoic acid,4-amino-2,3,5,6-tetrafluoro,benzoic acid, 4-amino-2,3,5,6-tetrafluoro,4-amino-2,3,5,6-tetrafluorobenzoic acid
IUPAC Name 4-amino-2,3,5,6-tetrafluorobenzoic acid
InChI Key WTNSXWSOTDBWOR-UHFFFAOYSA-N
Molecular Formula C7H3F4NO2