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Cumarine und Derivate

Aromatische organische Verbindungen, die einen Benzolring mit zwei benachbarten Wasserstoffatomen enthalten, die durch eine lactonähnliche Kette ersetzt werden, bilden einen zweiten sechsgliedrigen Heterocycle, der zwei Kohlenwasserstoffe mit dem Benzolring teilt, mit der Formel: C9H6O2.

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1

Cumarin-3-Carbonitril, 97 %, Thermo Scientific Chemicals

CAS: 15119-34-3 Summenformel: C10H5NO2 Molekulargewicht (g/mol): 171.16 MDL-Nummer: MFCD00115699 InChI-Schlüssel: QKJALQPLNMEDAV-UHFFFAOYSA-N Synonym: 3-cyanocoumarin,2-oxo-2h-chromene-3-carbonitrile,coumarin-3-carbonitrile,2h-1-benzopyran-3-carbonitrile, 2-oxo,2-oxo-2h-1-benzopyran-3-carbonitrile,coumarin, 3-cyano-7ci,8ci,3-cyano-coumarin,pubchem8675,acmc-1cfdq PubChem CID: 203763 IUPAC-Name: 2-Oxochromen-3-Carbonitril SMILES: O=C1OC2=CC=CC=C2C=C1C#N

InChI-Schlüssel QKJALQPLNMEDAV-UHFFFAOYSA-N
IUPAC-Name 2-Oxochromen-3-Carbonitril
PubChem CID 203763
CAS 15119-34-3
MDL-Nummer MFCD00115699
Molekulargewicht (g/mol) 171.16
SMILES O=C1OC2=CC=CC=C2C=C1C#N
Synonym 3-cyanocoumarin,2-oxo-2h-chromene-3-carbonitrile,coumarin-3-carbonitrile,2h-1-benzopyran-3-carbonitrile, 2-oxo,2-oxo-2h-1-benzopyran-3-carbonitrile,coumarin, 3-cyano-7ci,8ci,3-cyano-coumarin,pubchem8675,acmc-1cfdq
Summenformel C10H5NO2
2

7-Hydroxycumarin, 98 %, Thermo Scientific Chemicals

CAS: 93-35-6 Summenformel: C9H6O3 Molekulargewicht (g/mol): 162.14 MDL-Nummer: MFCD00006878 InChI-Schlüssel: ORHBXUUXSCNDEV-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon PubChem CID: 5281426 ChEBI: CHEBI:27510 IUPAC-Name: 7-hydroxy-2H-chromen-2-one SMILES: OC1=CC=C2C=CC(=O)OC2=C1

InChI-Schlüssel ORHBXUUXSCNDEV-UHFFFAOYSA-N
IUPAC-Name 7-hydroxy-2H-chromen-2-one
PubChem CID 5281426
CAS 93-35-6
ChEBI CHEBI:27510
MDL-Nummer MFCD00006878
Molekulargewicht (g/mol) 162.14
SMILES OC1=CC=C2C=CC(=O)OC2=C1
Synonym 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon
Summenformel C9H6O3
3

7-Diethylamino-4-Methylcumarin, 99 %, Thermo Scientific Chemicals

CAS: 91-44-1 Summenformel: C14H17NO2 Molekulargewicht (g/mol): 231.295 MDL-Nummer: MFCD00006864 InChI-Schlüssel: AFYCEAFSNDLKSX-UHFFFAOYSA-N Synonym: 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p PubChem CID: 7050 ChEBI: CHEBI:51938 IUPAC-Name: 7-(Diethylamino)-4-Methylchromen-2-on SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI-Schlüssel AFYCEAFSNDLKSX-UHFFFAOYSA-N
IUPAC-Name 7-(Diethylamino)-4-Methylchromen-2-on
PubChem CID 7050
CAS 91-44-1
ChEBI CHEBI:51938
MDL-Nummer MFCD00006864
Molekulargewicht (g/mol) 231.295
SMILES CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C
Synonym 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p
Summenformel C14H17NO2
4

6,7-Dihydroxy-4-Methylcumarin, 97 %, Thermo Scientific Chemicals

CAS: 529-84-0 Summenformel: C10H8O4 Molekulargewicht (g/mol): 192.17 MDL-Nummer: MFCD00006859 InChI-Schlüssel: KVOJTUXGYQVLAJ-UHFFFAOYSA-N Synonym: 4-methylesculetin,6,7-dihydroxy-4-methylcoumarin,methylesculetin,6,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methylaesculetin,4-methylesculetol,4-methyl-6,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl,coumarin, 6,7-dihydroxy-4-methyl,6,7-dihydroxy-4-methyl-2h-benzopyran-2-one PubChem CID: 5319502 IUPAC-Name: 6,7-Dihydroxy-4-methylchromen-2-on SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)O)O

InChI-Schlüssel KVOJTUXGYQVLAJ-UHFFFAOYSA-N
IUPAC-Name 6,7-Dihydroxy-4-methylchromen-2-on
PubChem CID 5319502
CAS 529-84-0
MDL-Nummer MFCD00006859
Molekulargewicht (g/mol) 192.17
SMILES CC1=CC(=O)OC2=CC(=C(C=C12)O)O
Synonym 4-methylesculetin,6,7-dihydroxy-4-methylcoumarin,methylesculetin,6,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methylaesculetin,4-methylesculetol,4-methyl-6,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl,coumarin, 6,7-dihydroxy-4-methyl,6,7-dihydroxy-4-methyl-2h-benzopyran-2-one
Summenformel C10H8O4
5

4-Hydroxycumarin, ≥ 98 %, Thermo Scientific Chemicals

CAS: 1076-38-6 Summenformel: C9H6O3 Molekulargewicht (g/mol): 162.14 MDL-Nummer: MFCD00006856 InChI-Schlüssel: OWBBAPRUYLEWRR-UHFFFAOYSA-N Synonym: 4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd PubChem CID: 54682930 ChEBI: CHEBI:40070 IUPAC-Name: 4-Hydroxychromen-2-on SMILES: OC1=CC(=O)C2=CC=CC=C2O1

InChI-Schlüssel OWBBAPRUYLEWRR-UHFFFAOYSA-N
IUPAC-Name 4-Hydroxychromen-2-on
PubChem CID 54682930
CAS 1076-38-6
ChEBI CHEBI:40070
MDL-Nummer MFCD00006856
Molekulargewicht (g/mol) 162.14
SMILES OC1=CC(=O)C2=CC=CC=C2O1
Synonym 4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd
Summenformel C9H6O3
6
Sonderaktionen verfügbar

Scopoletin, 95 %, Thermo Scientific Chemicals

CAS: 92-61-5 Summenformel: C10H8O4 Molekulargewicht (g/mol): 192.17 MDL-Nummer: MFCD00006872 InChI-Schlüssel: RODXRVNMMDRFIK-UHFFFAOYSA-N Synonym: scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin PubChem CID: 5280460 ChEBI: CHEBI:17488 IUPAC-Name: 7-Hydroxy-6-methoxychromen-2-on SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O

InChI-Schlüssel RODXRVNMMDRFIK-UHFFFAOYSA-N
IUPAC-Name 7-Hydroxy-6-methoxychromen-2-on
PubChem CID 5280460
CAS 92-61-5
ChEBI CHEBI:17488
MDL-Nummer MFCD00006872
Molekulargewicht (g/mol) 192.17
SMILES COC1=C(C=C2C(=C1)C=CC(=O)O2)O
Synonym scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin
Summenformel C10H8O4
7

4-Hydroxy-7-Methoxycumarin, 95 %, Thermo Scientific Chemicals

CAS: 17575-15-4 Summenformel: C10H8O4 Molekulargewicht (g/mol): 192.17 MDL-Nummer: MFCD00673700 InChI-Schlüssel: HFGKBQZAHZKDLV-UHFFFAOYSA-N PubChem CID: 54691408 IUPAC-Name: 4-Hydroxy-7-methoxychromen-2-on SMILES: COC1=CC=C2C(=O)C=C(O)OC2=C1

InChI-Schlüssel HFGKBQZAHZKDLV-UHFFFAOYSA-N
IUPAC-Name 4-Hydroxy-7-methoxychromen-2-on
PubChem CID 54691408
CAS 17575-15-4
MDL-Nummer MFCD00673700
Molekulargewicht (g/mol) 192.17
SMILES COC1=CC=C2C(=O)C=C(O)OC2=C1
Summenformel C10H8O4
8

4-Hydroxy-6-Methylcoumarin, +98 %, Thermo Scientific Chemicals

CAS: 13252-83-0 Summenformel: C10H8O3 Molekulargewicht (g/mol): 176.17 MDL-Nummer: MFCD00085738 InChI-Schlüssel: CSVFZDYJGBVNEX-UHFFFAOYSA-N Synonym: 4-hydroxy-6-methylcoumarin,4-hydroxy-6-methyl-2h-chromen-2-one,6-methyl-4-hydroxycoumarin,2h-1-benzopyran-2-one,4-hydroxy-6-methyl,2h-1-benzopyran-2-one, 4-hydroxy-6-methyl,2-hydroxy-6-methylchromen-4-one,2-hydroxy-6-methyl-4h-chromen-4-one,6-methyl-4-hydroxy coumarin,hydroxy-6-methylcoumarin,4 PubChem CID: 54686349 IUPAC-Name: 2-hydroxy-6-methyl-4H-chromen-4-one SMILES: CC1=CC=C2OC(O)=CC(=O)C2=C1

InChI-Schlüssel CSVFZDYJGBVNEX-UHFFFAOYSA-N
IUPAC-Name 2-hydroxy-6-methyl-4H-chromen-4-one
PubChem CID 54686349
CAS 13252-83-0
MDL-Nummer MFCD00085738
Molekulargewicht (g/mol) 176.17
SMILES CC1=CC=C2OC(O)=CC(=O)C2=C1
Synonym 4-hydroxy-6-methylcoumarin,4-hydroxy-6-methyl-2h-chromen-2-one,6-methyl-4-hydroxycoumarin,2h-1-benzopyran-2-one,4-hydroxy-6-methyl,2h-1-benzopyran-2-one, 4-hydroxy-6-methyl,2-hydroxy-6-methylchromen-4-one,2-hydroxy-6-methyl-4h-chromen-4-one,6-methyl-4-hydroxy coumarin,hydroxy-6-methylcoumarin,4
Summenformel C10H8O3
9

4-(Bromomethyl)-7-Methoxycumarin, 97 %, Thermo Scientific Chemicals

CAS: 35231-44-8 Summenformel: C11H9BrO3 Molekulargewicht (g/mol): 269.09 MDL-Nummer: MFCD00006869 InChI-Schlüssel: CTENSLORRMFPDH-UHFFFAOYSA-N Synonym: 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin PubChem CID: 121894 IUPAC-Name: 4-(bromomethyl)-7-methoxy-2H-chromen-2-one SMILES: COC1=CC=C2C(CBr)=CC(=O)OC2=C1

InChI-Schlüssel CTENSLORRMFPDH-UHFFFAOYSA-N
IUPAC-Name 4-(bromomethyl)-7-methoxy-2H-chromen-2-one
PubChem CID 121894
CAS 35231-44-8
MDL-Nummer MFCD00006869
Molekulargewicht (g/mol) 269.09
SMILES COC1=CC=C2C(CBr)=CC(=O)OC2=C1
Synonym 4-bromomethyl-7-methoxycoumarin,4-bromomethyl-7-methoxy-2h-chromen-2-one,br-mmc,ccris 7996,4-bromomethyl-7-methoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-7-methoxy,4-bromomethyl-7-methoxy-2-oxo-2h-benzopyran,acmc-1agnd,4-brommethyl-7-methoxy-2h-chromen-2-on,4-bromomethyl-7-methoxy coumarin
Summenformel C11H9BrO3
10

4-(5-Bromothien-2-yl)pyridin, 97 %, Thermo Scientific™

CAS: 2199-93-1 Summenformel: C11H7BrO3 Molekulargewicht (g/mol): 267.08 MDL-Nummer: MFCD00024075 InChI-Schlüssel: XFQYOFLFNKCHLG-UHFFFAOYSA-N Synonym: 3-acetyl-6-bromocoumarin,3-acetyl-6-bromo-2h-chromen-2-one,3-acetyl-6-bromo-chromen-2-one,2h-1-benzopyran-2-one,3-acetyl-6-bromo,3-acetyl-6-bromo-2-oxochromene,pubchem13336,maybridge1_000212,zerenex e/1034014,6-bromanyl-3-ethanoyl-chromen-2-one PubChem CID: 304813 IUPAC-Name: 3-Acetyl-6-bromchromen-2-on SMILES: CC(=O)C1=CC2=CC(Br)=CC=C2OC1=O

InChI-Schlüssel XFQYOFLFNKCHLG-UHFFFAOYSA-N
IUPAC-Name 3-Acetyl-6-bromchromen-2-on
PubChem CID 304813
CAS 2199-93-1
MDL-Nummer MFCD00024075
Molekulargewicht (g/mol) 267.08
SMILES CC(=O)C1=CC2=CC(Br)=CC=C2OC1=O
Synonym 3-acetyl-6-bromocoumarin,3-acetyl-6-bromo-2h-chromen-2-one,3-acetyl-6-bromo-chromen-2-one,2h-1-benzopyran-2-one,3-acetyl-6-bromo,3-acetyl-6-bromo-2-oxochromene,pubchem13336,maybridge1_000212,zerenex e/1034014,6-bromanyl-3-ethanoyl-chromen-2-one
Summenformel C11H7BrO3
11

Thermo Scientific Chemicals 7-Amino-4-Methylcoumarin, 98 %, rein

CAS: 26093-31-2 Summenformel: C10H9NO2 Molekulargewicht (g/mol): 175.19 MDL-Nummer: MFCD00006868 InChI-Schlüssel: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC-Name: 7-Amino-4-Methylchromen-2-on SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12

InChI-Schlüssel GLNDAGDHSLMOKX-UHFFFAOYSA-N
IUPAC-Name 7-Amino-4-Methylchromen-2-on
PubChem CID 92249
CAS 26093-31-2
ChEBI CHEBI:51771
MDL-Nummer MFCD00006868
Molekulargewicht (g/mol) 175.19
SMILES CC1=CC(=O)OC2=CC(N)=CC=C12
Synonym 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x
Summenformel C10H9NO2
13

7-Hydroxycumarinyl-4-Essigsäure, 97 %, Thermo Scientific Chemicals

CAS: 6950-82-9 Summenformel: C11H8O5 Molekulargewicht (g/mol): 220.18 MDL-Nummer: MFCD00037563 InChI-Schlüssel: BNHPMQBVNXMPDU-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin-4-acetic acid,2-7-hydroxy-2-oxo-2h-chromen-4-yl acetic acid,umbelliferone-4-acetic acid,7-hydroxy-2-oxo-2h-1-benzopyran-4-acetic acid,chembl12253,2-7-hydroxy-2-oxochromen-4-yl acetic acid,7-hydroxy-4-coumarinylacetic acid,2h-1-benzopyran-4-acetic acid, 7-hydroxy-2-oxo,7-hydroxycoumarin-4-yl acetic acid,7-hydroxy-2-oxochromen-4-yl acetic acid PubChem CID: 5338490 IUPAC-Name: 2-(7-Hydroxy-2-Oxochromen-4-yl)Essigsäure SMILES: C1=CC2=C(C=C1O)OC(=O)C=C2CC(=O)O

InChI-Schlüssel BNHPMQBVNXMPDU-UHFFFAOYSA-N
IUPAC-Name 2-(7-Hydroxy-2-Oxochromen-4-yl)Essigsäure
PubChem CID 5338490
CAS 6950-82-9
MDL-Nummer MFCD00037563
Molekulargewicht (g/mol) 220.18
SMILES C1=CC2=C(C=C1O)OC(=O)C=C2CC(=O)O
Synonym 7-hydroxycoumarin-4-acetic acid,2-7-hydroxy-2-oxo-2h-chromen-4-yl acetic acid,umbelliferone-4-acetic acid,7-hydroxy-2-oxo-2h-1-benzopyran-4-acetic acid,chembl12253,2-7-hydroxy-2-oxochromen-4-yl acetic acid,7-hydroxy-4-coumarinylacetic acid,2h-1-benzopyran-4-acetic acid, 7-hydroxy-2-oxo,7-hydroxycoumarin-4-yl acetic acid,7-hydroxy-2-oxochromen-4-yl acetic acid
Summenformel C11H8O5
14
Sonderaktionen verfügbar

Cumarin-3-Carboxylsäure, 98 %, Thermo Scientific Chemicals

CAS: 531-81-7 Summenformel: C10H6O4 Molekulargewicht (g/mol): 190.15 MDL-Nummer: MFCD00006852 InChI-Schlüssel: ACMLKANOGIVEPB-UHFFFAOYSA-N Synonym: coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van PubChem CID: 10752 IUPAC-Name: 2-Oxochromen-3-carbonsäure SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O

InChI-Schlüssel ACMLKANOGIVEPB-UHFFFAOYSA-N
IUPAC-Name 2-Oxochromen-3-carbonsäure
PubChem CID 10752
CAS 531-81-7
MDL-Nummer MFCD00006852
Molekulargewicht (g/mol) 190.15
SMILES C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O
Synonym coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van
Summenformel C10H6O4
15

3-(Bromoacetyl)Cumarin, 97 %, Acros Organics™

CAS: 29310-88-1 Summenformel: C11H7BrO3 Molekulargewicht (g/mol): 267.08 MDL-Nummer: MFCD00488331 InChI-Schlüssel: NTYOLVNSXVYRTJ-UHFFFAOYSA-N Synonym: 3-bromoacetyl coumarin,3-2-bromoacetyl-2h-chromen-2-one,3-2-bromoacetyl chromen-2-one,3-bromoacetylcoumarin,3-bromoacetyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 3-bromoacetyl,pubchem8670,rarechem ab ka k003,3-2-bromoacetyl-coumarin PubChem CID: 2063461 IUPAC-Name: 3-(2-bromoacetyl)-2H-chromen-2-one SMILES: BrCC(=O)C1=CC2=CC=CC=C2OC1=O

InChI-Schlüssel NTYOLVNSXVYRTJ-UHFFFAOYSA-N
IUPAC-Name 3-(2-bromoacetyl)-2H-chromen-2-one
PubChem CID 2063461
CAS 29310-88-1
MDL-Nummer MFCD00488331
Molekulargewicht (g/mol) 267.08
SMILES BrCC(=O)C1=CC2=CC=CC=C2OC1=O
Synonym 3-bromoacetyl coumarin,3-2-bromoacetyl-2h-chromen-2-one,3-2-bromoacetyl chromen-2-one,3-bromoacetylcoumarin,3-bromoacetyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 3-bromoacetyl,pubchem8670,rarechem ab ka k003,3-2-bromoacetyl-coumarin
Summenformel C11H7BrO3