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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 (130,249)
Phenols (25,102)
Naphthalenes (6,368)
Phenol esters (4,815)
Unsubstituted Phenols (1,455)
Fluorenes (1,296)
Thiophenols (762)
Anthracenes (515)
Indanes (489)
Phenanthrenes and derivatives (364)
Tetralins (337)
Triphenyl compounds (278)
Pyrenes (277)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (16)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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Keyword Search:
121 – 135 of 159,180 results
121
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1-Phenyl-2-thiourea, 97%

CAS: 103-85-5 Molecular Formula: C7H8N2S Molecular Weight (g/mol): 152.22 MDL Number: MFCD00004933 InChI Key: FULZLIGZKMKICU-UHFFFAOYSA-N Synonym: n-phenylthiourea,1-phenylthiourea,1-phenyl-2-thiourea,phenylthiocarbamide,thiourea, phenyl,phenyl-2-thiourea,fenylthiomocovina,urea, 1-phenyl-2-thio,rcra waste number p093,phenyl-thiourea PubChem CID: 676454 ChEBI: CHEBI:46261 IUPAC Name: phenylthiourea SMILES: NC(=S)NC1=CC=CC=C1

PubChem CID 676454
CAS 103-85-5
Molecular Weight (g/mol) 152.22
ChEBI CHEBI:46261
MDL Number MFCD00004933
SMILES NC(=S)NC1=CC=CC=C1
Synonym n-phenylthiourea,1-phenylthiourea,1-phenyl-2-thiourea,phenylthiocarbamide,thiourea, phenyl,phenyl-2-thiourea,fenylthiomocovina,urea, 1-phenyl-2-thio,rcra waste number p093,phenyl-thiourea
IUPAC Name phenylthiourea
InChI Key FULZLIGZKMKICU-UHFFFAOYSA-N
Molecular Formula C7H8N2S
122
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4-Dimethylaminobenzaldehyde, ACS reagent

CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1

PubChem CID 7479
CAS 100-10-7
Molecular Weight (g/mol) 149.19
MDL Number MFCD00003381
SMILES CN(C)C1=CC=C(C=O)C=C1
Synonym 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal
IUPAC Name 4-(dimethylamino)benzaldehyde
InChI Key BGNGWHSBYQYVRX-UHFFFAOYSA-N
Molecular Formula C9H11NO
123
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2,6-Di-tert-butyl-4-methylphenol, 99%

CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.35 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

PubChem CID 31404
CAS 128-37-0
Molecular Weight (g/mol) 220.35
ChEBI CHEBI:34247
MDL Number MFCD00011644
SMILES CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Synonym 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht
IUPAC Name 2,6-ditert-butyl-4-methylphenol
InChI Key NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula C15H24O
124
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sym-Diphenylcarbazide, 98%, ACS reagent

CAS: 140-22-7 Molecular Formula: C13H14N4O Molecular Weight (g/mol): 242.28 InChI Key: KSPIHGBHKVISFI-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl PubChem CID: 8789 ChEBI: CHEBI:4641 IUPAC Name: 1,3-dianilinourea SMILES: C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2

PubChem CID 8789
CAS 140-22-7
Molecular Weight (g/mol) 242.28
ChEBI CHEBI:4641
SMILES C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
Synonym 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl
IUPAC Name 1,3-dianilinourea
InChI Key KSPIHGBHKVISFI-UHFFFAOYSA-N
Molecular Formula C13H14N4O
125
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4-Nitrophenol, 99%

CAS: 100-02-7 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00007331 InChI Key: BTJIUGUIPKRLHP-UHFFFAOYSA-N Synonym: p-nitrophenol,phenol, 4-nitro,paranitrophenol,niphen,4-hydroxynitrobenzene,p-hydroxynitrobenzene,phenol, p-nitro,mononitrophenol,paranitrofenol,paranitrofenolo PubChem CID: 980 ChEBI: CHEBI:16836 IUPAC Name: 4-nitrophenol SMILES: OC1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 980
CAS 100-02-7
Molecular Weight (g/mol) 139.11
ChEBI CHEBI:16836
MDL Number MFCD00007331
SMILES OC1=CC=C(C=C1)[N+]([O-])=O
Synonym p-nitrophenol,phenol, 4-nitro,paranitrophenol,niphen,4-hydroxynitrobenzene,p-hydroxynitrobenzene,phenol, p-nitro,mononitrophenol,paranitrofenol,paranitrofenolo
IUPAC Name 4-nitrophenol
InChI Key BTJIUGUIPKRLHP-UHFFFAOYSA-N
Molecular Formula C6H5NO3
126

Toluene-2,4-diisocyanate, tech. 80%, remainder 2,6-diisocyanate

CAS: 584-84-9 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD00002011 InChI Key: DVKJHBMWWAPEIU-UHFFFAOYSA-N Synonym: 2,4-toluene diisocyanate,2,4-diisocyanatotoluene,tolylene-2,4-diisocyanate,toluene-2,4-diisocyanate,2,4-tolylene diisocyanate,toluene 2,4-diisocyanate,4-methyl-m-phenylene diisocyanate,tolylene diisocyanate,2,4-tdi,toluylene-2,4-diisocyanate PubChem CID: 11443 ChEBI: CHEBI:53556 IUPAC Name: 2,4-diisocyanato-1-methylbenzene SMILES: CC1=C(C=C(C=C1)N=C=O)N=C=O

PubChem CID 11443
CAS 584-84-9
Molecular Weight (g/mol) 174.159
ChEBI CHEBI:53556
MDL Number MFCD00002011
SMILES CC1=C(C=C(C=C1)N=C=O)N=C=O
Synonym 2,4-toluene diisocyanate,2,4-diisocyanatotoluene,tolylene-2,4-diisocyanate,toluene-2,4-diisocyanate,2,4-tolylene diisocyanate,toluene 2,4-diisocyanate,4-methyl-m-phenylene diisocyanate,tolylene diisocyanate,2,4-tdi,toluylene-2,4-diisocyanate
IUPAC Name 2,4-diisocyanato-1-methylbenzene
InChI Key DVKJHBMWWAPEIU-UHFFFAOYSA-N
Molecular Formula C9H6N2O2
127
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Tribenzylamine, 99+%

CAS: 620-40-6 Molecular Formula: C21H21N Molecular Weight (g/mol): 287.41 MDL Number: MFCD00004773 InChI Key: MXHTZQSKTCCMFG-UHFFFAOYSA-N Synonym: tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052 PubChem CID: 24321 IUPAC Name: N,N-dibenzyl-1-phenylmethanamine SMILES: C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 24321
CAS 620-40-6
Molecular Weight (g/mol) 287.41
MDL Number MFCD00004773
SMILES C(N(CC1=CC=CC=C1)CC1=CC=CC=C1)C1=CC=CC=C1
Synonym tribenzylamine,benzenemethanamine, n,n-bis phenylmethyl,unii-hz10o1931j,trisbenzylamine,n,n-dibenzyl-1-phenyl-methanamine,pubchem21076,acmc-1atok,dsstox_cid_27031,dsstox_rid_82052
IUPAC Name N,N-dibenzyl-1-phenylmethanamine
InChI Key MXHTZQSKTCCMFG-UHFFFAOYSA-N
Molecular Formula C21H21N
128
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m-Toluic acid, 99%

CAS: 99-04-7 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002523 InChI Key: GPSDUZXPYCFOSQ-UHFFFAOYSA-N Synonym: m-toluic acid,m-toluylic acid,3-toluic acid,benzoic acid, 3-methyl,meta-toluic acid,m-methylbenzoic acid,beta-methylbenzoic acid,3-methyl-benzoic acid,beta-bethylbenzoic acid,unii-1ua7k8eext PubChem CID: 7418 ChEBI: CHEBI:10589 IUPAC Name: 3-methylbenzoic acid SMILES: CC1=CC=CC(=C1)C(O)=O

PubChem CID 7418
CAS 99-04-7
Molecular Weight (g/mol) 136.15
ChEBI CHEBI:10589
MDL Number MFCD00002523
SMILES CC1=CC=CC(=C1)C(O)=O
Synonym m-toluic acid,m-toluylic acid,3-toluic acid,benzoic acid, 3-methyl,meta-toluic acid,m-methylbenzoic acid,beta-methylbenzoic acid,3-methyl-benzoic acid,beta-bethylbenzoic acid,unii-1ua7k8eext
IUPAC Name 3-methylbenzoic acid
InChI Key GPSDUZXPYCFOSQ-UHFFFAOYSA-N
Molecular Formula C8H8O2
129
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1,5-Diphenylcarbazide, 97+%

CAS: 140-22-7 Molecular Formula: C13H14N4O Molecular Weight (g/mol): 242.282 MDL Number: MFCD00003013 InChI Key: KSPIHGBHKVISFI-UHFFFAOYSA-N Synonym: 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl PubChem CID: 8789 ChEBI: CHEBI:4641 IUPAC Name: 1,3-dianilinourea SMILES: C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2

PubChem CID 8789
CAS 140-22-7
Molecular Weight (g/mol) 242.282
ChEBI CHEBI:4641
MDL Number MFCD00003013
SMILES C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
Synonym 1,5-diphenylcarbazide,diphenylcarbazide,1,5-diphenylcarbohydrazide,carbonic dihydrazide, 2,2'-diphenyl,1,5-diphenylcarbonohydrazide,1,5-diphenylcabohydrazide,sym-diphenylcarbazide,n,n'-diphenylcarbazide,2,2'-diphenylcarbazide,carbohydrazide, 1,5-diphenyl
IUPAC Name 1,3-dianilinourea
InChI Key KSPIHGBHKVISFI-UHFFFAOYSA-N
Molecular Formula C13H14N4O
130
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Anisole, 99%

CAS: 100-66-3 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00008354 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1

PubChem CID 7519
CAS 100-66-3
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:16579
MDL Number MFCD00008354
SMILES COC1=CC=CC=C1
Synonym methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene
IUPAC Name anisole
InChI Key RDOXTESZEPMUJZ-UHFFFAOYSA-N
Molecular Formula C7H8O
131
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Diphenyl ether, 99%

CAS: 101-84-8 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00003034 InChI Key: USIUVYZYUHIAEV-UHFFFAOYSA-N Synonym: diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl PubChem CID: 7583 ChEBI: CHEBI:39258 IUPAC Name: phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2

PubChem CID 7583
CAS 101-84-8
Molecular Weight (g/mol) 170.211
ChEBI CHEBI:39258
MDL Number MFCD00003034
SMILES C1=CC=C(C=C1)OC2=CC=CC=C2
Synonym diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl
IUPAC Name phenoxybenzene
InChI Key USIUVYZYUHIAEV-UHFFFAOYSA-N
Molecular Formula C12H10O
132

3-Chloroperoxybenzoic Acid, 70-75%, balance 3-Chlorobenzoic Acid and water

3-Chloroperoxybenzoic acid, 70-75%, C7H5ClO3, CAS Number-937-14-4, 535-80-8, 7732-18-5 | CAS: 937-14-4 | C7H5ClO3 | 172.56 g/mol

Linear Formula ClC6H4CO3H
Molecular Weight (g/mol) 172.56
ChEBI CHEBI:52091
CAS Min % 25.0
InChI Key NHQDETIJWKXCTC-UHFFFAOYSA-N
Density 0.5600g/mL
PubChem CID 70297
Name Note 70 - 75%
Percent Purity 70-75%
Fieser 01,135; 02,68; 03,49; 04,85; 05,120; 06,110; 07,62; 08,97; 09,108; 10,92; 11,122; 12,118; 13,76; 15,86; 16,80; 17,76
RTECS Number SD9470000
Formula Weight 172.57
Melting Point 92.0°C to 94.0°C
CAS Max % 30.0
Color White
Physical Form Moist Powder
SMILES OOC(=O)C1=CC=CC(Cl)=C1
Merck Index 15,2154
Assay Percent Range di-m-Chlorobenzoyl peroxide: < 0.1% Typical (HPLC)
CAS 7732-18-5
Health Hazard 3 GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
Keep away from heat/sparks/open flames/hot surfaces.
- No smoking.
Keep/Store away from clothing/ combustible materials.
IF SWALLOWED: rin
MDL Number MFCD00002127
Health Hazard 2 GHS H Statement
Causes severe skin burns and eye damage.
Harmful if swallowed.
Heating may cause a fire.
Solubility Information Solubility in water: insoluble. Other solubilities: soluble in koh, soluble in chloroform and acetone
Health Hazard 1 GHS Signal Word: Danger
Synonym 3-chloroperoxybenzoic acid,3-chloroperbenzoic acid,mcpba,m-chloroperbenzoic acid,m-chloroperoxybenzoic acid,meta-chloroperoxybenzoic acid,benzenecarboperoxoic acid, 3-chloro,m-chlorobenzoyl hydroperoxide,meta-chloroperbenzoic acid,3-chlorobenzoperoxoic acid
TSCA TSCA
IUPAC Name 3-chlorobenzenecarboperoxoic acid
Beilstein 09,IV,972
Molecular Formula C7H5ClO3
EINECS Number 213-322-3
Specific Gravity 0.56
133

Caffeic Acid 98.0+%, TCI America™

CAS: 331-39-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00004392 InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N Synonym: caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid PubChem CID: 689043 ChEBI: CHEBI:16433 IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O

PubChem CID 689043
CAS 331-39-5
Molecular Weight (g/mol) 180.159
ChEBI CHEBI:16433
MDL Number MFCD00004392
SMILES C1=CC(=C(C=C1C=CC(=O)O)O)O
Synonym caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid
IUPAC Name (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
InChI Key QAIPRVGONGVQAS-DUXPYHPUSA-N
Molecular Formula C9H8O4
134
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L(-)-Epinephrine, 99%

CAS: 51-43-4 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
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
135

p-Naphtholbenzein, TCI America™

CAS: 145-50-6 Molecular Formula: C27H18O2 Molecular Weight (g/mol): 374.439 MDL Number: MFCD00078492 InChI Key: VDDWRTZCUJCDJM-PNHLSOANSA-N Synonym: p-naphtholbenzein,1-naphtholbenzein,alpha-naphtholbenzein,.alpha.-naphtholbenzein,4-4-hydroxynaphthyl phenylmethylene naphthalen-1-one,naphtholbenzein,1 4h-naphthalenone, 4-4-hydroxy-1-naphthalenyl phenylmethylene,1 4h-naphthalenone,4-4-hydroxy-1-naphthalenyl phenylmethylene,1 4h-naphthalenone, 4-.alpha.-4-hydroxy-1-naphthyl benzylidene PubChem CID: 5941340 IUPAC Name: (4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one SMILES: C1=CC=C(C=C1)C(=C2C=CC(=O)C3=CC=CC=C23)C4=CC=C(C5=CC=CC=C54)O

PubChem CID 5941340
CAS 145-50-6
Molecular Weight (g/mol) 374.439
MDL Number MFCD00078492
SMILES C1=CC=C(C=C1)C(=C2C=CC(=O)C3=CC=CC=C23)C4=CC=C(C5=CC=CC=C54)O
Synonym p-naphtholbenzein,1-naphtholbenzein,alpha-naphtholbenzein,.alpha.-naphtholbenzein,4-4-hydroxynaphthyl phenylmethylene naphthalen-1-one,naphtholbenzein,1 4h-naphthalenone, 4-4-hydroxy-1-naphthalenyl phenylmethylene,1 4h-naphthalenone,4-4-hydroxy-1-naphthalenyl phenylmethylene,1 4h-naphthalenone, 4-.alpha.-4-hydroxy-1-naphthyl benzylidene
IUPAC Name (4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one
InChI Key VDDWRTZCUJCDJM-PNHLSOANSA-N
Molecular Formula C27H18O2