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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 (29,435)
Phenols (2,219)
Unsubstituted Phenols (1,220)
Naphthalenes (703)
Fluorenes (557)
Thiophenols (433)
Tetralins (284)
Indanes (229)
Phenol esters (220)
Anthracenes (219)
Triphenyl compounds (215)
Pyrenes (107)
Phenanthrenes and derivatives (106)
Dibenzocycloheptenes (55)
Naphthacenes (19)
Ellagic acids and derivatives (9)
Pentacenequinones (4)
Pentacenes (4)
1-hydroxylamino 2-unsubstituted benzenoids (3)

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Benzyl Alcohol, 99%, Pure

CAS: 100-51-6 Formula molecolare: C7H8O Molecular Weight (g/mol): 108.14 Numero MDL: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Sinonimo: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

Sinonimo benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
Numero MDL MFCD00004599,MFCD03792087
PubChem CID 244
Formula molecolare C7H8O
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
SMILES OCC1=CC=CC=C1
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
2
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Benzoic acid, 99.6%, ACS reagent

CAS: 65-85-0 Formula molecolare: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Sinonimo: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O

EDGE
Sinonimo benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv
PubChem CID 243
Formula molecolare C7H6O2
CAS 65-85-0
Molecular Weight (g/mol) 122.12
ChEBI CHEBI:30746
SMILES C1=CC=C(C=C1)C(=O)O
IUPAC Name benzoic acid
InChI Key WPYMKLBDIGXBTP-UHFFFAOYSA-N
3
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Vitamin K{1}

CAS: 84-80-0 Formula molecolare: C31H46O2 Molecular Weight (g/mol): 450.707 Numero MDL: MFCD00214063 InChI Key: MBWXNTAXLNYFJB-NKFFZRIASA-N Sinonimo: vitamin k1,phytonadione,phylloquinone,phytylmenadione,phyllochinon,phytomenadione,alpha-phylloquinone,3-phytylmenadione,konakion,2-methyl-3-phytyl-1,4-naphthoquinone PubChem CID: 5284607 ChEBI: CHEBI:18067 IUPAC Name: 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C

EDGE
Sinonimo vitamin k1,phytonadione,phylloquinone,phytylmenadione,phyllochinon,phytomenadione,alpha-phylloquinone,3-phytylmenadione,konakion,2-methyl-3-phytyl-1,4-naphthoquinone
Numero MDL MFCD00214063
PubChem CID 5284607
Formula molecolare C31H46O2
CAS 84-80-0
Molecular Weight (g/mol) 450.707
ChEBI CHEBI:18067
SMILES CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
IUPAC Name 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
InChI Key MBWXNTAXLNYFJB-NKFFZRIASA-N
4
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Eugenol, 99%

CAS: 97-53-0 Formula molecolare: C10H12O2 Molecular Weight (g/mol): 164.20 Numero MDL: MFCD00008654 InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N Sinonimo: eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol PubChem CID: 3314 ChEBI: CHEBI:4917 SMILES: COC1=CC(CC=C)=CC=C1O

EDGE
Sinonimo eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol
Numero MDL MFCD00008654
PubChem CID 3314
Formula molecolare C10H12O2
CAS 97-53-0
Molecular Weight (g/mol) 164.20
ChEBI CHEBI:4917
SMILES COC1=CC(CC=C)=CC=C1O
InChI Key RRAFCDWBNXTKKO-UHFFFAOYSA-N
5
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Guaiacol, 99+%

CAS: 90-05-1 Formula molecolare: C7H8O2 Molecular Weight (g/mol): 124.14 InChI Key: LHGVFZTZFXWLCP-UHFFFAOYSA-N Sinonimo: guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid PubChem CID: 460 ChEBI: CHEBI:28591 IUPAC Name: 2-methoxyphenol SMILES: COC1=CC=CC=C1O

EDGE
Sinonimo guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid
PubChem CID 460
Formula molecolare C7H8O2
CAS 90-05-1
Molecular Weight (g/mol) 124.14
ChEBI CHEBI:28591
SMILES COC1=CC=CC=C1O
IUPAC Name 2-methoxyphenol
InChI Key LHGVFZTZFXWLCP-UHFFFAOYSA-N
6

Benzyl alcohol, 99%

CAS: 100-51-6 Formula molecolare: C7H8O Molecular Weight (g/mol): 108.14 Numero MDL: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Sinonimo: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

EDGE
Sinonimo benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
Numero MDL MFCD00004599,MFCD03792087
PubChem CID 244
Formula molecolare C7H8O
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
SMILES OCC1=CC=CC=C1
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
7

4-Aminobenzoic acid, 99%

CAS: 150-13-0 Formula molecolare: C7H7NO2 Molecular Weight (g/mol): 137.14 Numero MDL: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Sinonimo: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O

EDGE
Sinonimo p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino
Numero MDL MFCD00007894
PubChem CID 978
Formula molecolare C7H7NO2
CAS 150-13-0
Molecular Weight (g/mol) 137.14
ChEBI CHEBI:30753
SMILES NC1=CC=C(C=C1)C(O)=O
IUPAC Name 4-aminobenzoic acid
InChI Key ALYNCZNDIQEVRV-UHFFFAOYSA-N
8

Methyl salicylate, 98%

CAS: 119-36-8 Formula molecolare: C8H8O3 Molecular Weight (g/mol): 152.149 Numero MDL: MFCD00002214 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N Sinonimo: methyl salicylate,wintergreen oil,gaultheria oil,betula oil,teaberry oil,sweet birch oil,oil of wintergreen,analgit,spicewood oil,2-hydroxybenzoic acid methyl ester PubChem CID: 4133 ChEBI: CHEBI:31832 IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O

EDGE
Sinonimo methyl salicylate,wintergreen oil,gaultheria oil,betula oil,teaberry oil,sweet birch oil,oil of wintergreen,analgit,spicewood oil,2-hydroxybenzoic acid methyl ester
Numero MDL MFCD00002214
PubChem CID 4133
Formula molecolare C8H8O3
CAS 119-36-8
Molecular Weight (g/mol) 152.149
ChEBI CHEBI:31832
SMILES COC(=O)C1=CC=CC=C1O
IUPAC Name methyl 2-hydroxybenzoate
InChI Key OSWPMRLSEDHDFF-UHFFFAOYSA-N
9
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Dithizone, 98%

CAS: 60-10-6 Formula molecolare: C13H12N4S Molecular Weight (g/mol): 256.33 Numero MDL: MFCD00003025 InChI Key: UOFGSWVZMUXXIY-UHFFFAOYSA-N Sinonimo: dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone PubChem CID: 657262 SMILES: S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1

EDGE
Sinonimo dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone
Numero MDL MFCD00003025
PubChem CID 657262
Formula molecolare C13H12N4S
CAS 60-10-6
Molecular Weight (g/mol) 256.33
SMILES S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1
InChI Key UOFGSWVZMUXXIY-UHFFFAOYSA-N
10
Promozioni disponibili

3,5-Dinitrosalicylic acid, 98%

CAS: 609-99-4 Formula molecolare: C7H4N2O7 Molecular Weight (g/mol): 228.12 Numero MDL: MFCD00007104 InChI Key: LWFUFLREGJMOIZ-UHFFFAOYSA-N Sinonimo: 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid PubChem CID: 11873 ChEBI: CHEBI:53648 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]

EDGE
Sinonimo 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid
Numero MDL MFCD00007104
PubChem CID 11873
Formula molecolare C7H4N2O7
CAS 609-99-4
Molecular Weight (g/mol) 228.12
ChEBI CHEBI:53648
SMILES C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]
InChI Key LWFUFLREGJMOIZ-UHFFFAOYSA-N
11

Ethyl Benzoate, 99+%

CAS: 93-89-0 Formula molecolare: C9H10O2 Molecular Weight (g/mol): 150.18 Numero MDL: MFCD00009109 InChI Key: MTZQAGJQAFMTAQ-UHFFFAOYSA-N Sinonimo: benzoic acid, ethyl ester,benzoic ether,ethyl benzenecarboxylate,ethylbenzoate,benzoyl ethyl ether,benzoic acid ethyl ester,ethylester kyseliny benzoove,natural,unii-j115brj15h,fema no. 2422 PubChem CID: 7165 IUPAC Name: ethyl benzoate SMILES: CCOC(=O)C1=CC=CC=C1

EDGE
Sinonimo benzoic acid, ethyl ester,benzoic ether,ethyl benzenecarboxylate,ethylbenzoate,benzoyl ethyl ether,benzoic acid ethyl ester,ethylester kyseliny benzoove,natural,unii-j115brj15h,fema no. 2422
Numero MDL MFCD00009109
PubChem CID 7165
Formula molecolare C9H10O2
CAS 93-89-0
Molecular Weight (g/mol) 150.18
SMILES CCOC(=O)C1=CC=CC=C1
IUPAC Name ethyl benzoate
InChI Key MTZQAGJQAFMTAQ-UHFFFAOYSA-N
12

Triphenylphosphine, 99%

CAS: 603-35-0 Formula molecolare: C18H15P Molecular Weight (g/mol): 262.29 Numero MDL: MFCD00003043 MFCD20489348 InChI Key: RIOQSEWOXXDEQQ-UHFFFAOYSA-N Sinonimo: triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin PubChem CID: 11776 IUPAC Name: triphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

EDGE
Sinonimo triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin
Numero MDL MFCD00003043 MFCD20489348
PubChem CID 11776
Formula molecolare C18H15P
CAS 603-35-0
Molecular Weight (g/mol) 262.29
SMILES C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name triphenylphosphane
InChI Key RIOQSEWOXXDEQQ-UHFFFAOYSA-N
13

Ethyl 4-hydroxybenzoate, 99%

CAS: 120-47-8 Formula molecolare: C9H10O3 Molecular Weight (g/mol): 166.18 Numero MDL: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Sinonimo: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O

EDGE
Sinonimo ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e
Numero MDL MFCD00002353
PubChem CID 8434
Formula molecolare C9H10O3
CAS 120-47-8
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:86616
SMILES CCOC(=O)C1=CC=C(C=C1)O
IUPAC Name ethyl 4-hydroxybenzoate
InChI Key NUVBSKCKDOMJSU-UHFFFAOYSA-N
14

Methylene di-p-phenyl diisocyanate, 98%, flakes

CAS: 101-68-8 Formula molecolare: C15H10N2O2 Molecular Weight (g/mol): 250.26 Numero MDL: MFCD00036131 InChI Key: UPMLOUAZCHDJJD-UHFFFAOYSA-N Sinonimo: 4,4'-diphenylmethane diisocyanate,diphenylmethane diisocyanate,isonate,4,4'-diisocyanatodiphenylmethane,p,p'-diphenylmethane diisocyanate,bis 4-isocyanatophenyl methane,4,4'-methylenebis phenyl isocyanate,methylbisphenyl isocyanate,1,1'-methylenebis 4-isocyanatobenzene,methylene diphenyl diisocyanate PubChem CID: 7570 ChEBI: CHEBI:53218 IUPAC Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O

EDGE
Sinonimo 4,4'-diphenylmethane diisocyanate,diphenylmethane diisocyanate,isonate,4,4'-diisocyanatodiphenylmethane,p,p'-diphenylmethane diisocyanate,bis 4-isocyanatophenyl methane,4,4'-methylenebis phenyl isocyanate,methylbisphenyl isocyanate,1,1'-methylenebis 4-isocyanatobenzene,methylene diphenyl diisocyanate
Numero MDL MFCD00036131
PubChem CID 7570
Formula molecolare C15H10N2O2
CAS 101-68-8
Molecular Weight (g/mol) 250.26
ChEBI CHEBI:53218
SMILES C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
IUPAC Name 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
InChI Key UPMLOUAZCHDJJD-UHFFFAOYSA-N
15

Thermo Scientific Chemicals alpha-Naphtholbenzein

CAS: 145-50-6 Formula molecolare: C27H18O2 Molecular Weight (g/mol): 374.44 InChI Key: VDDWRTZCUJCDJM-PNHLSOANSA-N 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

EDGE
PubChem CID 5941340
Formula molecolare C27H18O2
CAS 145-50-6
Molecular Weight (g/mol) 374.44
SMILES C1=CC=C(C=C1)C(=C2C=CC(=O)C3=CC=CC=C23)C4=CC=C(C5=CC=CC=C54)O
IUPAC Name (4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one
InChI Key VDDWRTZCUJCDJM-PNHLSOANSA-N