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

4-Dimethylaminobenzaldehyde, 99+%

CAS: 100-10-7 Formula molecolare: C9H11NO Molecular Weight (g/mol): 149.19 Numero MDL: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Sinonimo: 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

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Sinonimo	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
Numero MDL	MFCD00003381
PubChem CID	7479
Formula molecolare	C9H11NO
CAS	100-10-7
Molecular Weight (g/mol)	149.19
SMILES	CN(C)C1=CC=C(C=O)C=C1
IUPAC Name	4-(dimethylamino)benzaldehyde
InChI Key	BGNGWHSBYQYVRX-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

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

Benzoic acid, 99%, extra pure

CAS: 65-85-0 Formula molecolare: C₇H₆O₂ Molecular Weight (g/mol): 122.12 Numero MDL: MFCD00002398 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

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Sinonimo	benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv
Numero MDL	MFCD00002398
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

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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

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

1-Iodo-4-nitrobenzene, 98+%

CAS: 636-98-6 Formula molecolare: C6H4INO2 Molecular Weight (g/mol): 249.007 Numero MDL: MFCD00007299 InChI Key: SCCCFNJTCDSLCY-UHFFFAOYSA-N Sinonimo: benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene PubChem CID: 12495 IUPAC Name: 1-iodo-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])I

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Sinonimo	benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene
Numero MDL	MFCD00007299
PubChem CID	12495
Formula molecolare	C6H4INO2
CAS	636-98-6
Molecular Weight (g/mol)	249.007
SMILES	C1=CC(=CC=C1[N+](=O)[O-])I
IUPAC Name	1-iodo-4-nitrobenzene
InChI Key	SCCCFNJTCDSLCY-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

Iodobenzene, 98%

CAS: 591-50-4 Formula molecolare: C6H5I Molecular Weight (g/mol): 204.01 Numero MDL: MFCD00001029 InChI Key: SNHMUERNLJLMHN-UHFFFAOYSA-N Sinonimo: benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene PubChem CID: 11575 IUPAC Name: iodobenzene SMILES: IC1=CC=CC=C1

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Sinonimo	benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene
Numero MDL	MFCD00001029
PubChem CID	11575
Formula molecolare	C6H5I
CAS	591-50-4
Molecular Weight (g/mol)	204.01
SMILES	IC1=CC=CC=C1
IUPAC Name	iodobenzene
InChI Key	SNHMUERNLJLMHN-UHFFFAOYSA-N

Benzhydrol, 99%

CAS: 91-01-0 Formula molecolare: C₁₃H₁₂O Molecular Weight (g/mol): 184.24 Numero MDL: MFCD00004488 InChI Key: QILSFLSDHQAZET-UHFFFAOYSA-N Sinonimo: benzhydrol,diphenylcarbinol,benzohydrol,benzhydryl alcohol,hydroxydiphenylmethane,diphenylmethyl alcohol,diphenyl carbinol,alpha-phenylbenzenemethanol,diphenyl-methanol,benzenemethanol, .alpha.-phenyl PubChem CID: 7037 IUPAC Name: diphenylmethanol SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)O

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Sinonimo	benzhydrol,diphenylcarbinol,benzohydrol,benzhydryl alcohol,hydroxydiphenylmethane,diphenylmethyl alcohol,diphenyl carbinol,alpha-phenylbenzenemethanol,diphenyl-methanol,benzenemethanol, .alpha.-phenyl
Numero MDL	MFCD00004488
PubChem CID	7037
Formula molecolare	C₁₃H₁₂O
CAS	91-01-0
Molecular Weight (g/mol)	184.24
SMILES	C1=CC=C(C=C1)C(C2=CC=CC=C2)O
IUPAC Name	diphenylmethanol
InChI Key	QILSFLSDHQAZET-UHFFFAOYSA-N

3,4-Diaminobenzoic acid, 97%

CAS: 619-05-6 Formula molecolare: C₇H₈N₂O₂ Molecular Weight (g/mol): 152.15 Numero MDL: MFCD00007726 InChI Key: HEMGYNNCNNODNX-UHFFFAOYSA-N Sinonimo: benzoic acid, 3,4-diamino,4-carboxyphenyldiamine,3,4-diamino benzoic acid,4-carboxy-o-phenylenediamine,3,4-diaminobenzoicacid,acmc-209mxf,3,4-diaminobenzoesaeure,3,4 diaminobenzoic acid,3,4-diaminobenzenoic acid,3,4-diamino-benzoic acid PubChem CID: 69263 IUPAC Name: 3,4-diaminobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)N)N

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Sinonimo	benzoic acid, 3,4-diamino,4-carboxyphenyldiamine,3,4-diamino benzoic acid,4-carboxy-o-phenylenediamine,3,4-diaminobenzoicacid,acmc-209mxf,3,4-diaminobenzoesaeure,3,4 diaminobenzoic acid,3,4-diaminobenzenoic acid,3,4-diamino-benzoic acid
Numero MDL	MFCD00007726
PubChem CID	69263
Formula molecolare	C₇H₈N₂O₂
CAS	619-05-6
Molecular Weight (g/mol)	152.15
SMILES	C1=CC(=C(C=C1C(=O)O)N)N
IUPAC Name	3,4-diaminobenzoic acid
InChI Key	HEMGYNNCNNODNX-UHFFFAOYSA-N

Benzene and substituted derivatives

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