Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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p-Anisaldehyde, 99+%

CAS: 123-11-5 Formula molecolare: C₈H₈O₂ Molecular Weight (g/mol): 136.15 Numero MDL: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Sinonimo: 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

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

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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

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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

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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

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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

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

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

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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

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

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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

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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

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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

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

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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

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

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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

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

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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

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

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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

Benzophenone, 99%, pure

CAS: 119-61-9 Formula molecolare: C₁₃H₁₀O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Sinonimo: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

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Sinonimo	benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone
PubChem CID	3102
Formula molecolare	C₁₃H₁₀O
CAS	119-61-9
Molecular Weight (g/mol)	182.22
ChEBI	CHEBI:41308
SMILES	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
IUPAC Name	diphenylmethanone
InChI Key	RWCCWEUUXYIKHB-UHFFFAOYSA-N

Benzophenone, 99%

CAS: 119-61-9 Formula molecolare: C13H10O Molecular Weight (g/mol): 182.222 Numero MDL: MFCD00003076 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Sinonimo: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

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Sinonimo	benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone
Numero MDL	MFCD00003076
PubChem CID	3102
Formula molecolare	C13H10O
CAS	119-61-9
Molecular Weight (g/mol)	182.222
ChEBI	CHEBI:41308
SMILES	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
IUPAC Name	diphenylmethanone
InChI Key	RWCCWEUUXYIKHB-UHFFFAOYSA-N

Terephthalic acid, 98+%

CAS: 100-21-0 Formula molecolare: C8H6O4 Molecular Weight (g/mol): 166.132 Numero MDL: MFCD00002558 InChI Key: KKEYFWRCBNTPAC-UHFFFAOYSA-N Sinonimo: p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene PubChem CID: 7489 ChEBI: CHEBI:15702 IUPAC Name: terephthalic acid SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O

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Sinonimo	p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene
Numero MDL	MFCD00002558
PubChem CID	7489
Formula molecolare	C8H6O4
CAS	100-21-0
Molecular Weight (g/mol)	166.132
ChEBI	CHEBI:15702
SMILES	C1=CC(=CC=C1C(=O)O)C(=O)O
IUPAC Name	terephthalic acid
InChI Key	KKEYFWRCBNTPAC-UHFFFAOYSA-N

Di-n-octyl phthalate, 98%

CAS: 117-84-0 Formula molecolare: C24H38O4 Molecular Weight (g/mol): 390.564 Numero MDL: MFCD00015292 InChI Key: MQIUGAXCHLFZKX-UHFFFAOYSA-N Sinonimo: dioctyl phthalate,di-n-octyl phthalate,dinopol nop,n-octyl phthalate,vinicizer 85,phthalic acid, dioctyl ester,polycizer 162,dnop,phthalic acid di-n-octyl ester,dioctyl 1,2-benzenedicarboxylate PubChem CID: 8346 ChEBI: CHEBI:34679 IUPAC Name: dioctyl benzene-1,2-dicarboxylate SMILES: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC

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Sinonimo	dioctyl phthalate,di-n-octyl phthalate,dinopol nop,n-octyl phthalate,vinicizer 85,phthalic acid, dioctyl ester,polycizer 162,dnop,phthalic acid di-n-octyl ester,dioctyl 1,2-benzenedicarboxylate
Numero MDL	MFCD00015292
PubChem CID	8346
Formula molecolare	C24H38O4
CAS	117-84-0
Molecular Weight (g/mol)	390.564
ChEBI	CHEBI:34679
SMILES	CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
IUPAC Name	dioctyl benzene-1,2-dicarboxylate
InChI Key	MQIUGAXCHLFZKX-UHFFFAOYSA-N

Benzene and substituted derivatives

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