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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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

Isoeugenol, Mischung aus cis/trans-Isomeren 99 %, Thermo Scientific Chemicals

CAS: 97-54-1 Summenformel: C10H12O2 Molekulargewicht (g/mol): 164.20 MDL-Nummer: MFCD00009285 InChI-Schlüssel: BJIOGJUNALELMI-ONEGZZNKSA-N Synonym: isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene PubChem CID: 853433 ChEBI: CHEBI:50545 SMILES: COC1=CC(\C=C\C)=CC=C1O

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InChI-Schlüssel	BJIOGJUNALELMI-ONEGZZNKSA-N
PubChem CID	853433
CAS	97-54-1
ChEBI	CHEBI:50545
MDL-Nummer	MFCD00009285
Molekulargewicht (g/mol)	164.20
SMILES	COC1=CC(\C=C\C)=CC=C1O
Synonym	isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene
Summenformel	C10H12O2

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

4-Dimethylaminobenzaldehyd, Reagenz ACS, Thermo Scientific Chemicals

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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

DL-α-Methoxyphenylessigsäure, 99 %, Thermo Scientific Chemicals

CAS: 7021-09-2 Summenformel: C₉H₁₀O₃ Molekulargewicht (g/mol): 166.18 InChI-Schlüssel: DIWVBIXQCNRCFE-UHFFFAOYNA-N Synonym: methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid PubChem CID: 107202 IUPAC-Name: 2-Methoxy-2-Phenylessigsäure SMILES: COC(C1=CC=CC=C1)C(=O)O

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InChI-Schlüssel	DIWVBIXQCNRCFE-UHFFFAOYNA-N
IUPAC-Name	2-Methoxy-2-Phenylessigsäure
PubChem CID	107202
CAS	7021-09-2
Molekulargewicht (g/mol)	166.18
SMILES	COC(C1=CC=CC=C1)C(=O)O
Synonym	methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid
Summenformel	C₉H₁₀O₃

Terephthalsäure, 98+ %, Thermo Scientific Chemicals

CAS: 100-21-0 Summenformel: C8H6O4 Molekulargewicht (g/mol): 166.132 MDL-Nummer: MFCD00002558 InChI-Schlüssel: KKEYFWRCBNTPAC-UHFFFAOYSA-N Synonym: 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: Terephthalsäure SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O

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InChI-Schlüssel	KKEYFWRCBNTPAC-UHFFFAOYSA-N
IUPAC-Name	Terephthalsäure
PubChem CID	7489
CAS	100-21-0
ChEBI	CHEBI:15702
MDL-Nummer	MFCD00002558
Molekulargewicht (g/mol)	166.132
SMILES	C1=CC(=CC=C1C(=O)O)C(=O)O
Synonym	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
Summenformel	C8H6O4

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

p-Tolualdehyd, +99 %, Thermo Scientific Chemicals

CAS: 104-87-0 Summenformel: C₈H₈O Molekulargewicht (g/mol): 120.15 MDL-Nummer: MFCD00006954 InChI-Schlüssel: FXLOVSHXALFLKQ-UHFFFAOYSA-N Synonym: p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde PubChem CID: 7725 ChEBI: CHEBI:28617 IUPAC-Name: 4-Methylbenzaldehyd SMILES: CC1=CC=C(C=C1)C=O

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InChI-Schlüssel	FXLOVSHXALFLKQ-UHFFFAOYSA-N
IUPAC-Name	4-Methylbenzaldehyd
PubChem CID	7725
CAS	104-87-0
ChEBI	CHEBI:28617
MDL-Nummer	MFCD00006954
Molekulargewicht (g/mol)	120.15
SMILES	CC1=CC=C(C=C1)C=O
Synonym	p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde
Summenformel	C₈H₈O

Diethylphthalat, 99 %, Thermo Scientific Chemicals

CAS: 84-66-2 Summenformel: C₁₂H₁₄O₄ Molekulargewicht (g/mol): 222.24 MDL-Nummer: MFCD00009111 InChI-Schlüssel: FLKPEMZONWLCSK-UHFFFAOYSA-N Synonym: diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e PubChem CID: 6781 ChEBI: CHEBI:34698 IUPAC-Name: Diethylbenzol-1,2-Dicarboxylat SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OCC

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InChI-Schlüssel	FLKPEMZONWLCSK-UHFFFAOYSA-N
IUPAC-Name	Diethylbenzol-1,2-Dicarboxylat
PubChem CID	6781
CAS	84-66-2
ChEBI	CHEBI:34698
MDL-Nummer	MFCD00009111
Molekulargewicht (g/mol)	222.24
SMILES	CCOC(=O)C1=CC=CC=C1C(=O)OCC
Synonym	diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e
Summenformel	C₁₂H₁₄O₄

Veratrol +99 %, Thermo Scientific Chemicals

CAS: 91-16-7 Summenformel: C₈H₁₀O₂ Molekulargewicht (g/mol): 138.17 MDL-Nummer: MFCD00008357 InChI-Schlüssel: ABDKAPXRBAPSQN-UHFFFAOYSA-N Synonym: veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy PubChem CID: 7043 ChEBI: CHEBI:59114 IUPAC-Name: 1,2-Dimethoxybenzol SMILES: COC1=CC=CC=C1OC

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InChI-Schlüssel	ABDKAPXRBAPSQN-UHFFFAOYSA-N
IUPAC-Name	1,2-Dimethoxybenzol
PubChem CID	7043
CAS	91-16-7
ChEBI	CHEBI:59114
MDL-Nummer	MFCD00008357
Molekulargewicht (g/mol)	138.17
SMILES	COC1=CC=CC=C1OC
Synonym	veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy
Summenformel	C₈H₁₀O₂

Triphenylphosphin-Kupfer(I)-hydrid Hexamer, 96 %, Thermo Scientific Chemicals

CAS: 33636-93-0 Summenformel: C108H96Cu6P6 Molekulargewicht (g/mol): 1961.07 MDL-Nummer: MFCD00221518 InChI-Schlüssel: IZZFKTUYPRVQID-UHFFFAOYSA-T Synonym: stryker's reagent,triphenylphosphine copper hydride hexamer,triphenylphosphine-copper i hydride hexamer,unii-8x3r32m7xu,hydrido triphenylphosphine copper i hexamer,stryker's reagent mi,triphenylphosphine cuprous hydride,triphenylphosphine copper i hydride hexamer,copper, hexa-mu3-hydrohexakis triphenylphosphine hexa-, octahedro,cuprous hydride triphenylphosphine hexamer PubChem CID: 11982471 IUPAC-Name: hexahydrogen [2,3,4,5,6-pentakis(triphenylphosphaniumyl)heptacyclo[2.2.0.0¹,³.0²,⁵.0²,⁶.0³,⁵.0⁴,⁶]hexacopper-1-yl]triphenylphosphanium SMILES: [H+].[H+].[H+].[H+].[H+].[H+].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)[Cu]123[Cu]45([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]11([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]22([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]34([P+](C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)[Cu]512[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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InChI-Schlüssel	IZZFKTUYPRVQID-UHFFFAOYSA-T
IUPAC-Name	hexahydrogen [2,3,4,5,6-pentakis(triphenylphosphaniumyl)heptacyclo[2.2.0.0¹,³.0²,⁵.0²,⁶.0³,⁵.0⁴,⁶]hexacopper-1-yl]triphenylphosphanium
PubChem CID	11982471
CAS	33636-93-0
MDL-Nummer	MFCD00221518
Molekulargewicht (g/mol)	1961.07
SMILES	[H+].[H+].[H+].[H+].[H+].[H+].C1=CC=C(C=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)[Cu]123[Cu]45([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]11([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]22([P+](C6=CC=CC=C6)(C6=CC=CC=C6)C6=CC=CC=C6)[Cu]34([P+](C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)[Cu]512[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	stryker's reagent,triphenylphosphine copper hydride hexamer,triphenylphosphine-copper i hydride hexamer,unii-8x3r32m7xu,hydrido triphenylphosphine copper i hexamer,stryker's reagent mi,triphenylphosphine cuprous hydride,triphenylphosphine copper i hydride hexamer,copper, hexa-mu3-hydrohexakis triphenylphosphine hexa-, octahedro,cuprous hydride triphenylphosphine hexamer
Summenformel	C108H96Cu6P6

Phenylacetaldehyd, 98 %, stabilisiert, Thermo Scientific Chemicals

CAS: 122-78-1 Summenformel: C8H8O Molekulargewicht (g/mol): 120.15 MDL-Nummer: MFCD00006993 InChI-Schlüssel: DTUQWGWMVIHBKE-UHFFFAOYSA-N Synonym: phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde PubChem CID: 998 ChEBI: CHEBI:16424 IUPAC-Name: 2-Phenylacetaldehyd SMILES: O=CCC1=CC=CC=C1

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InChI-Schlüssel	DTUQWGWMVIHBKE-UHFFFAOYSA-N
IUPAC-Name	2-Phenylacetaldehyd
PubChem CID	998
CAS	122-78-1
ChEBI	CHEBI:16424
MDL-Nummer	MFCD00006993
Molekulargewicht (g/mol)	120.15
SMILES	O=CCC1=CC=CC=C1
Synonym	phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde
Summenformel	C8H8O

N-Benzylbenzamid, 99 %, Thermo Scientific Chemicals

CAS: 1485-70-7 Summenformel: C14H13NO Molekulargewicht (g/mol): 211.26 MDL-Nummer: MFCD00003070 InChI-Schlüssel: LKQUCICFTHBFAL-UHFFFAOYSA-N Synonym: benzamide, n-phenylmethyl,n-benzyl-benzamide,phenyl-n-benzylcarboxamide,benzoylbenzylamine,n∼1∼-benzylbenzamide,benzamide, n-benzyl,n-phenylmethyl benzamide,acmc-1bx9y,n-benzylbenzamide,lkqucicfthbfal-uhfffaoysa PubChem CID: 73878 IUPAC-Name: N-Benzylbenzamid SMILES: O=C(NCC1=CC=CC=C1)C1=CC=CC=C1

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InChI-Schlüssel	LKQUCICFTHBFAL-UHFFFAOYSA-N
IUPAC-Name	N-Benzylbenzamid
PubChem CID	73878
CAS	1485-70-7
MDL-Nummer	MFCD00003070
Molekulargewicht (g/mol)	211.26
SMILES	O=C(NCC1=CC=CC=C1)C1=CC=CC=C1
Synonym	benzamide, n-phenylmethyl,n-benzyl-benzamide,phenyl-n-benzylcarboxamide,benzoylbenzylamine,n∼1∼-benzylbenzamide,benzamide, n-benzyl,n-phenylmethyl benzamide,acmc-1bx9y,n-benzylbenzamide,lkqucicfthbfal-uhfffaoysa
Summenformel	C14H13NO

DAPT, Thermo Scientific Chemicals

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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

Benzol und substituierte Derivate

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