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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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

DAPT

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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

1,3,5-Trimethoxybenzene, 99%

CAS: 621-23-8 Formula molecolare: C9H12O3 Molecular Weight (g/mol): 168.19 Numero MDL: MFCD00008385 InChI Key: LKUDPHPHKOZXCD-UHFFFAOYSA-N Sinonimo: phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259 PubChem CID: 69301 ChEBI: CHEBI:31038 IUPAC Name: 1,3,5-trimethoxybenzene SMILES: COC1=CC(OC)=CC(OC)=C1

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Sinonimo	phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259
Numero MDL	MFCD00008385
PubChem CID	69301
Formula molecolare	C9H12O3
CAS	621-23-8
Molecular Weight (g/mol)	168.19
ChEBI	CHEBI:31038
SMILES	COC1=CC(OC)=CC(OC)=C1
IUPAC Name	1,3,5-trimethoxybenzene
InChI Key	LKUDPHPHKOZXCD-UHFFFAOYSA-N

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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

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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

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

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

Thermo Scientific Chemicals Basic Fuchsin

CAS: 632-99-5 Formula molecolare: C20H20ClN3 Molecular Weight (g/mol): 337.85 Numero MDL: MFCD00012569 InChI Key: AXDJCCTWPBKUKL-UHFFFAOYSA-N Sinonimo: basic violet 14,fuchsin,fuchsin basic,magenta,rosaniline,fuchsine,basic fuchsine,basic magenta,rose aniline,fuchsin, basic PubChem CID: 12447 IUPAC Name: 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride SMILES: [H+].[Cl-].CC1=CC(C=CC1=N)=C(C1=CC=C(N)C=C1)C1=CC=C(N)C=C1

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Sinonimo	basic violet 14,fuchsin,fuchsin basic,magenta,rosaniline,fuchsine,basic fuchsine,basic magenta,rose aniline,fuchsin, basic
Numero MDL	MFCD00012569
PubChem CID	12447
Formula molecolare	C20H20ClN3
CAS	632-99-5
Molecular Weight (g/mol)	337.85
SMILES	[H+].[Cl-].CC1=CC(C=CC1=N)=C(C1=CC=C(N)C=C1)C1=CC=C(N)C=C1
IUPAC Name	4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride
InChI Key	AXDJCCTWPBKUKL-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

trans-Anethole, 99%

CAS: 4180-23-8 Formula molecolare: C₁₀H₁₂O Molecular Weight (g/mol): 148.2 Numero MDL: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Sinonimo: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC

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Sinonimo	anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole
Numero MDL	MFCD00009284
PubChem CID	637563
Formula molecolare	C₁₀H₁₂O
CAS	4180-23-8
Molecular Weight (g/mol)	148.2
ChEBI	CHEBI:35616
SMILES	CC=CC1=CC=C(C=C1)OC
IUPAC Name	1-methoxy-4-[(E)-prop-1-enyl]benzene
InChI Key	RUVINXPYWBROJD-ONEGZZNKSA-N

p-Toluenesulfonyl isocyanate, 96%

CAS: 4083-64-1 Formula molecolare: C8H7NO3S Molecular Weight (g/mol): 197.21 Numero MDL: MFCD00002030 InChI Key: VLJQDHDVZJXNQL-UHFFFAOYSA-N Sinonimo: tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate PubChem CID: 77703 IUPAC Name: 4-methyl-N-(oxomethylidene)benzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C=O

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Sinonimo	tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate
Numero MDL	MFCD00002030
PubChem CID	77703
Formula molecolare	C8H7NO3S
CAS	4083-64-1
Molecular Weight (g/mol)	197.21
SMILES	CC1=CC=C(C=C1)S(=O)(=O)N=C=O
IUPAC Name	4-methyl-N-(oxomethylidene)benzenesulfonamide
InChI Key	VLJQDHDVZJXNQL-UHFFFAOYSA-N

Anthranilamide, 99+%

CAS: 88-68-6 Formula molecolare: C₇H₈N₂O Molecular Weight (g/mol): 136.15 Numero MDL: MFCD00007981 InChI Key: PXBFMLJZNCDSMP-UHFFFAOYSA-N Sinonimo: anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van PubChem CID: 6942 IUPAC Name: 2-aminobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)N

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Sinonimo	anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van
Numero MDL	MFCD00007981
PubChem CID	6942
Formula molecolare	C₇H₈N₂O
CAS	88-68-6
Molecular Weight (g/mol)	136.15
SMILES	C1=CC=C(C(=C1)C(=O)N)N
IUPAC Name	2-aminobenzamide
InChI Key	PXBFMLJZNCDSMP-UHFFFAOYSA-N

Propyl 4-hydroxybenzoate, 99+%

CAS: 94-13-3 Formula molecolare: C₁₀H₁₂O₃ Molecular Weight (g/mol): 180.2 Numero MDL: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Sinonimo: propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(C=C1)O

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Sinonimo	propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept
Numero MDL	MFCD00002354
PubChem CID	7175
Formula molecolare	C₁₀H₁₂O₃
CAS	94-13-3
Molecular Weight (g/mol)	180.2
ChEBI	CHEBI:32063
SMILES	CCCOC(=O)C1=CC=C(C=C1)O
IUPAC Name	propyl 4-hydroxybenzoate
InChI Key	QELSKZZBTMNZEB-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

Benzene and substituted derivatives

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