Benzol und substituierte Derivate

Benzol ist ein aromatisches organisches Molekül, das aus sechs Kohlenstoffatomen und sechs Wasserstoffatomen besteht, die einen Ring bilden. Darunter substituierte derivative Verbindungen.

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Benzylalkohol, 99 %, rein, Thermo Scientific Chemicals

CAS: 100-51-6 Summenformel: C7H8O Molekulargewicht (g/mol): 108.14 MDL-Nummer: MFCD00004599,MFCD03792087 InChI-Schlüssel: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: 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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InChI-Schlüssel	WVDDGKGOMKODPV-UHFFFAOYSA-N
IUPAC-Name	Phenylmethanol
PubChem CID	244
CAS	100-51-6
ChEBI	CHEBI:17987
MDL-Nummer	MFCD00004599,MFCD03792087
Molekulargewicht (g/mol)	108.14
SMILES	OCC1=CC=CC=C1
Synonym	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
Summenformel	C7H8O

DAPT, Thermo Scientific Chemicals

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p-Anisaldehyd +99 %, Thermo Scientific Chemicals

CAS: 123-11-5 Summenformel: C₈H₈O₂ Molekulargewicht (g/mol): 136.15 MDL-Nummer: MFCD00003385 InChI-Schlüssel: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: 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-Methoxybenzaldehyd SMILES: COC1=CC=C(C=C1)C=O

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InChI-Schlüssel	ZRSNZINYAWTAHE-UHFFFAOYSA-N
IUPAC-Name	4-Methoxybenzaldehyd
PubChem CID	31244
CAS	123-11-5
ChEBI	CHEBI:28235
MDL-Nummer	MFCD00003385
Molekulargewicht (g/mol)	136.15
SMILES	COC1=CC=C(C=C1)C=O
Synonym	p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine
Summenformel	C₈H₈O₂

4-Aminobenzoesäure, 99 %, Thermo Scientific Chemicals

CAS: 150-13-0 Summenformel: C7H7NO2 Molekulargewicht (g/mol): 137.14 MDL-Nummer: MFCD00007894 InChI-Schlüssel: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: 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-Aminobenzoesäure SMILES: NC1=CC=C(C=C1)C(O)=O

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InChI-Schlüssel	ALYNCZNDIQEVRV-UHFFFAOYSA-N
IUPAC-Name	4-Aminobenzoesäure
PubChem CID	978
CAS	150-13-0
ChEBI	CHEBI:30753
MDL-Nummer	MFCD00007894
Molekulargewicht (g/mol)	137.14
SMILES	NC1=CC=C(C=C1)C(O)=O
Synonym	p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino
Summenformel	C7H7NO2

2-Phenoxyethanol, 99 %, Thermo Scientific Chemicals

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

4-Dimethylaminobenzaldehyd, 99+ %, Thermo Scientific Chemicals

CAS: 100-10-7 Summenformel: C9H11NO Molekulargewicht (g/mol): 149.19 MDL-Nummer: MFCD00003381 InChI-Schlüssel: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 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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InChI-Schlüssel	BGNGWHSBYQYVRX-UHFFFAOYSA-N
IUPAC-Name	4-(dimethylamino)benzaldehyde
PubChem CID	7479
CAS	100-10-7
MDL-Nummer	MFCD00003381
Molekulargewicht (g/mol)	149.19
SMILES	CN(C)C1=CC=C(C=O)C=C1
Synonym	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
Summenformel	C9H11NO

1,3,5-Trimethoxybenzol, 99 %, Thermo Scientific Chemicals

CAS: 621-23-8 Summenformel: C9H12O3 Molekulargewicht (g/mol): 168.19 MDL-Nummer: MFCD00008385 InChI-Schlüssel: LKUDPHPHKOZXCD-UHFFFAOYSA-N Synonym: 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-Trimethoxybenzol SMILES: COC1=CC(OC)=CC(OC)=C1

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InChI-Schlüssel	LKUDPHPHKOZXCD-UHFFFAOYSA-N
IUPAC-Name	1,3,5-Trimethoxybenzol
PubChem CID	69301
CAS	621-23-8
ChEBI	CHEBI:31038
MDL-Nummer	MFCD00008385
Molekulargewicht (g/mol)	168.19
SMILES	COC1=CC(OC)=CC(OC)=C1
Synonym	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
Summenformel	C9H12O3

Thermo Scientific Chemicals Tetrabromphenolphthaleinethylester

CAS: 1176-74-5 Summenformel: C₂₂H₁₄Br₄O₄ Molekulargewicht (g/mol): 661.96 MDL-Nummer: MFCD00066387 InChI-Schlüssel: SQFXATUXPUCFFO-UHFFFAOYSA-N Synonym: tetrabromophenolphthalein ethyl ester,3',3,5',5-tetrabromophenolphthalein ethyl ester,ethyl tetrabromophenolphthalein,unii-6d91ns781o,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl benzoate,3 inverted exclamation marka,3 inverted exclamation marka,5 inverted exclamation marka,5 inverted exclamation marka-tetrabromophenolphthalein ethyl ester,benzoic acid, 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-, ethyl ester,benzoic acid,2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-,ethyl ester,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene methyl benzoate PubChem CID: 92873 IUPAC-Name: Ethyl 2-[(3,5-dibrom-4-hydroxyphenyl)-(3,5-dibrom-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoat SMILES: CCOC(=O)C1=CC=CC=C1C(=C2C=C(C(=O)C(=C2)Br)Br)C3=CC(=C(C(=C3)Br)O)Br

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InChI-Schlüssel	SQFXATUXPUCFFO-UHFFFAOYSA-N
IUPAC-Name	Ethyl 2-[(3,5-dibrom-4-hydroxyphenyl)-(3,5-dibrom-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoat
PubChem CID	92873
CAS	1176-74-5
MDL-Nummer	MFCD00066387
Molekulargewicht (g/mol)	661.96
SMILES	CCOC(=O)C1=CC=CC=C1C(=C2C=C(C(=O)C(=C2)Br)Br)C3=CC(=C(C(=C3)Br)O)Br
Synonym	tetrabromophenolphthalein ethyl ester,3',3,5',5-tetrabromophenolphthalein ethyl ester,ethyl tetrabromophenolphthalein,unii-6d91ns781o,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl benzoate,3 inverted exclamation marka,3 inverted exclamation marka,5 inverted exclamation marka,5 inverted exclamation marka-tetrabromophenolphthalein ethyl ester,benzoic acid, 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-, ethyl ester,benzoic acid,2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-,ethyl ester,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene methyl benzoate
Summenformel	C₂₂H₁₄Br₄O₄

Trans-Anethol, 99 %, Thermo Scientific Chemicals

CAS: 4180-23-8 Summenformel: C₁₀H₁₂O Molekulargewicht (g/mol): 148.2 MDL-Nummer: MFCD00009284 InChI-Schlüssel: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: 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]benzol SMILES: CC=CC1=CC=C(C=C1)OC

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InChI-Schlüssel	RUVINXPYWBROJD-ONEGZZNKSA-N
IUPAC-Name	1-Methoxy-4-[(E)-prop-1-enyl]benzol
PubChem CID	637563
CAS	4180-23-8
ChEBI	CHEBI:35616
MDL-Nummer	MFCD00009284
Molekulargewicht (g/mol)	148.2
SMILES	CC=CC1=CC=C(C=C1)OC
Synonym	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
Summenformel	C₁₀H₁₂O

Ethyl 4-hydroxybenzoat, 99 %, Thermo Scientific Chemicals

CAS: 120-47-8 Summenformel: C₉H₁₀O₃ Molekulargewicht (g/mol): 166.18 MDL-Nummer: MFCD00002353 InChI-Schlüssel: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: 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-Hydroxybenzoat SMILES: CCOC(=O)C1=CC=C(C=C1)O

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InChI-Schlüssel	NUVBSKCKDOMJSU-UHFFFAOYSA-N
IUPAC-Name	Ethyl 4-Hydroxybenzoat
PubChem CID	8434
CAS	120-47-8
ChEBI	CHEBI:86616
MDL-Nummer	MFCD00002353
Molekulargewicht (g/mol)	166.18
SMILES	CCOC(=O)C1=CC=C(C=C1)O
Synonym	ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e
Summenformel	C₉H₁₀O₃

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Benzoesäure, 99,6 %, ACS-Reagenz

CAS: 65-85-0 Summenformel: C₇H₆O₂ Molekulargewicht (g/mol): 122.12 InChI-Schlüssel: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: 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: Benzoesäure SMILES: C1=CC=C(C=C1)C(=O)O

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InChI-Schlüssel	WPYMKLBDIGXBTP-UHFFFAOYSA-N
IUPAC-Name	Benzoesäure
PubChem CID	243
CAS	65-85-0
ChEBI	CHEBI:30746
Molekulargewicht (g/mol)	122.12
SMILES	C1=CC=C(C=C1)C(=O)O
Synonym	benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv
Summenformel	C₇H₆O₂

1,5-Diphenylcarbazid, ACS, Thermo Scientific Chemicals

CAS: 140-22-7 Summenformel: C13H14N4O Molekulargewicht (g/mol): 242.282 MDL-Nummer: MFCD00003013 InChI-Schlüssel: KSPIHGBHKVISFI-UHFFFAOYSA-N Synonym: 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-Dianilinharnstoff SMILES: C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2

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InChI-Schlüssel	KSPIHGBHKVISFI-UHFFFAOYSA-N
IUPAC-Name	1,3-Dianilinharnstoff
PubChem CID	8789
CAS	140-22-7
ChEBI	CHEBI:4641
MDL-Nummer	MFCD00003013
Molekulargewicht (g/mol)	242.282
SMILES	C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
Synonym	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
Summenformel	C13H14N4O

Benzophenon, 99 %, Thermo Scientific Chemicals

CAS: 119-61-9 Summenformel: C13H10O Molekulargewicht (g/mol): 182.222 MDL-Nummer: MFCD00003076 InChI-Schlüssel: RWCCWEUUXYIKHB-UHFFFAOYSA-N Synonym: 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: Diphenylmethanon SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

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InChI-Schlüssel	RWCCWEUUXYIKHB-UHFFFAOYSA-N
IUPAC-Name	Diphenylmethanon
PubChem CID	3102
CAS	119-61-9
ChEBI	CHEBI:41308
MDL-Nummer	MFCD00003076
Molekulargewicht (g/mol)	182.222
SMILES	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Synonym	benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone
Summenformel	C13H10O

Propyl 4-hydroxybenzoat, 99+ %, Thermo Scientific Chemicals

CAS: 94-13-3 Summenformel: C₁₀H₁₂O₃ Molekulargewicht (g/mol): 180.2 MDL-Nummer: MFCD00002354 InChI-Schlüssel: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonym: 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-hydroxybenzoat SMILES: CCCOC(=O)C1=CC=C(C=C1)O

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InChI-Schlüssel	QELSKZZBTMNZEB-UHFFFAOYSA-N
IUPAC-Name	Propyl-4-hydroxybenzoat
PubChem CID	7175
CAS	94-13-3
ChEBI	CHEBI:32063
MDL-Nummer	MFCD00002354
Molekulargewicht (g/mol)	180.2
SMILES	CCCOC(=O)C1=CC=C(C=C1)O
Synonym	propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept
Summenformel	C₁₀H₁₂O₃

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Benzophenon, 99 %, rein, Thermo Scientific Chemicals

CAS: 119-61-9 Summenformel: C₁₃H₁₀O Molekulargewicht (g/mol): 182.22 InChI-Schlüssel: RWCCWEUUXYIKHB-UHFFFAOYSA-N Synonym: 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: Diphenylmethanon SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

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InChI-Schlüssel	RWCCWEUUXYIKHB-UHFFFAOYSA-N
IUPAC-Name	Diphenylmethanon
PubChem CID	3102
CAS	119-61-9
ChEBI	CHEBI:41308
Molekulargewicht (g/mol)	182.22
SMILES	C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Synonym	benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone
Summenformel	C₁₃H₁₀O

Benzol und substituierte Derivate

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