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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Sodium salicylate, 99%

CAS: 54-21-7 Formula molecolare: C7H5NaO3 Molecular Weight (g/mol): 160.104 Numero MDL: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Sinonimo: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

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Sinonimo	sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
Numero MDL	MFCD00002440
PubChem CID	16760658
Formula molecolare	C7H5NaO3
CAS	54-21-7
Molecular Weight (g/mol)	160.104
ChEBI	CHEBI:9180
SMILES	C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
IUPAC Name	sodium;2-hydroxybenzoate
InChI Key	ABBQHOQBGMUPJH-UHFFFAOYSA-M

Methyl 4-hydroxybenzoate, 99%

CAS: 99-76-3 Formula molecolare: C8H8O3 Molecular Weight (g/mol): 152.149 Numero MDL: MFCD00002352 InChI Key: LXCFILQKKLGQFO-UHFFFAOYSA-N Sinonimo: methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m PubChem CID: 7456 ChEBI: CHEBI:31835 IUPAC Name: metile 4-idrossibenzoato SMILES: COC(=O)C1=CC=C(C=C1)O

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Sinonimo	methylparaben,methyl paraben,methyl p-hydroxybenzoate,nipagin,methyl parahydroxybenzoate,maseptol,p-hydroxybenzoic acid methyl ester,4-hydroxybenzoic acid methyl ester,p-carbomethoxyphenol,tegosept m
Numero MDL	MFCD00002352
PubChem CID	7456
Formula molecolare	C8H8O3
CAS	99-76-3
Molecular Weight (g/mol)	152.149
ChEBI	CHEBI:31835
SMILES	COC(=O)C1=CC=C(C=C1)O
IUPAC Name	metile 4-idrossibenzoato
InChI Key	LXCFILQKKLGQFO-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

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

Thimerosal

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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

2-Phenoxyethanol, 99%

CAS: 122-99-6 Formula molecolare: C₈H₁₀O₂ Molecular Weight (g/mol): 138.17 Numero MDL: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Sinonimo: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO

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Sinonimo	phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane
Numero MDL	MFCD00002857
PubChem CID	31236
Formula molecolare	C₈H₁₀O₂
CAS	122-99-6
Molecular Weight (g/mol)	138.17
ChEBI	CHEBI:64275
SMILES	C1=CC=C(C=C1)OCCO
IUPAC Name	2-phenoxyethanol
InChI Key	QCDWFXQBSFUVSP-UHFFFAOYSA-N

Benzyl alcohol, specified according to requirements of Ph.Eur.

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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

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

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

Tetrakis(triphenylphosphine)palladium(0), 99%

CAS: 14221-01-3 Formula molecolare: C72H60P4Pd Molecular Weight (g/mol): 1155.59 Numero MDL: MFCD00010012 InChI Key: NFHFRUOZVGFOOS-UHFFFAOYSA-N Sinonimo: tetrakis triphenylphosphine palladium,tetrakis triphenylphosphine palladium 0,pd pph3 4,tetrakis triphenylphosphine palladium o,tetra triphenylphosphine palladium,palladium-tetrakis triphenylphosphine,palladium 0 tetrakis triphenylphosphine,palladium, tetrakis triphenylphosphine-, t-4 PubChem CID: 11979704 IUPAC Name: palladium;triphenylphosphane SMILES: [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Sinonimo	tetrakis triphenylphosphine palladium,tetrakis triphenylphosphine palladium 0,pd pph3 4,tetrakis triphenylphosphine palladium o,tetra triphenylphosphine palladium,palladium-tetrakis triphenylphosphine,palladium 0 tetrakis triphenylphosphine,palladium, tetrakis triphenylphosphine-, t-4
Numero MDL	MFCD00010012
PubChem CID	11979704
Formula molecolare	C72H60P4Pd
CAS	14221-01-3
Molecular Weight (g/mol)	1155.59
SMILES	[Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name	palladium;triphenylphosphane
InChI Key	NFHFRUOZVGFOOS-UHFFFAOYSA-N

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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

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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

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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

1,5-Diphenylcarbazide, ACS

CAS: 140-22-7 Formula molecolare: C13H14N4O Molecular Weight (g/mol): 242.282 Numero MDL: MFCD00003013 InChI Key: KSPIHGBHKVISFI-UHFFFAOYSA-N Sinonimo: 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

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Sinonimo	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
Numero MDL	MFCD00003013
PubChem CID	8789
Formula molecolare	C13H14N4O
CAS	140-22-7
Molecular Weight (g/mol)	242.282
ChEBI	CHEBI:4641
SMILES	C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
IUPAC Name	1,3-dianilinourea
InChI Key	KSPIHGBHKVISFI-UHFFFAOYSA-N

sym-Diphenylcarbazide, 98%, ACS reagent

CAS: 140-22-7 Formula molecolare: C₁₃H₁₄N₄O Molecular Weight (g/mol): 242.28 InChI Key: KSPIHGBHKVISFI-UHFFFAOYSA-N Sinonimo: 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

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Sinonimo	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
Formula molecolare	C₁₃H₁₄N₄O
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
IUPAC Name	1,3-dianilinourea
InChI Key	KSPIHGBHKVISFI-UHFFFAOYSA-N

Benzene and substituted derivatives

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