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Anthracenes

Polycyclic aromatic hydrocarbon compounds that consist of fourteen carbon atoms and ten hydrogen atoms linearly fused into three benzene rings; also called paranaphthalene, or green oil.

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1

Perylene, 99+%

CAS: 198-55-0 Molecular Formula: C20H12 Molecular Weight (g/mol): 252.31 MDL Number: MFCD00004142 InChI Key: CSHWQDPOILHKBI-UHFFFAOYSA-N Synonym: peri-dinaphthalene,perilene,dibenz de,kl anthracene,alpha-perylene,perylen,unii-5qd5427un7,ccris 1231,perylen-1-yl,perylen-2-yl PubChem CID: 9142 ChEBI: CHEBI:29861 IUPAC Name: perylene SMILES: C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2

PubChem CID 9142
CAS 198-55-0
Molecular Weight (g/mol) 252.31
ChEBI CHEBI:29861
MDL Number MFCD00004142
SMILES C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2
Synonym peri-dinaphthalene,perilene,dibenz de,kl anthracene,alpha-perylene,perylen,unii-5qd5427un7,ccris 1231,perylen-1-yl,perylen-2-yl
IUPAC Name perylene
InChI Key CSHWQDPOILHKBI-UHFFFAOYSA-N
Molecular Formula C20H12
2

9-Anthracenecarboxaldehyde, 99%

CAS: 642-31-9 Molecular Formula: C15H10O Molecular Weight (g/mol): 206.24 MDL Number: MFCD00001254 InChI Key: YMNKUHIVVMFOFO-UHFFFAOYSA-N Synonym: 9-anthraldehyde,9-anthracenecarboxaldehyde,9-anthrylaldehyde,9-formylanthracene,9-anthracenecarbaldehyde,9-anthrylcarboxaldehyde,ccris 3165,nsc 15,anthracene-9-aldehyde,anthracene-9-carboxaldehyde PubChem CID: 69504 IUPAC Name: anthracene-9-carbaldehyde SMILES: O=CC1=C2C=CC=CC2=CC2=CC=CC=C12

PubChem CID 69504
CAS 642-31-9
Molecular Weight (g/mol) 206.24
MDL Number MFCD00001254
SMILES O=CC1=C2C=CC=CC2=CC2=CC=CC=C12
Synonym 9-anthraldehyde,9-anthracenecarboxaldehyde,9-anthrylaldehyde,9-formylanthracene,9-anthracenecarbaldehyde,9-anthrylcarboxaldehyde,ccris 3165,nsc 15,anthracene-9-aldehyde,anthracene-9-carboxaldehyde
IUPAC Name anthracene-9-carbaldehyde
InChI Key YMNKUHIVVMFOFO-UHFFFAOYSA-N
Molecular Formula C15H10O
3

9-Anthracenemethanol, 98%

CAS: 1468-95-7 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00001264 InChI Key: JCJNNHDZTLRSGN-UHFFFAOYSA-N Synonym: 9-anthracenemethanol,9-hydroxymethylanthracene,9-anthrylcarbinol,9-methylolanthracene,9-anthrylmethanol,9-hydroxymethylantracene,9-anthracene methanol,9-hydroxymethyl anthracene,anthracene-9-carbinol,ccris 7297 PubChem CID: 73848 IUPAC Name: anthracen-9-ylmethanol SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CO

PubChem CID 73848
CAS 1468-95-7
Molecular Weight (g/mol) 208.26
MDL Number MFCD00001264
SMILES C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CO
Synonym 9-anthracenemethanol,9-hydroxymethylanthracene,9-anthrylcarbinol,9-methylolanthracene,9-anthrylmethanol,9-hydroxymethylantracene,9-anthracene methanol,9-hydroxymethyl anthracene,anthracene-9-carbinol,ccris 7297
IUPAC Name anthracen-9-ylmethanol
InChI Key JCJNNHDZTLRSGN-UHFFFAOYSA-N
Molecular Formula C15H12O
4

Dithranol, 99%, MP Biomedicals™

CAS: 1143-38-0 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD00053409 InChI Key: NUZWLKWWNNJHPT-UHFFFAOYSA-N PubChem CID: 2202 ChEBI: CHEBI:37510 IUPAC Name: 1,8-dihydroxy-9,10-dihydroanthracen-9-one SMILES: OC1=CC=CC2=C1C(=O)C1=C(O)C=CC=C1C2

PubChem CID 2202
CAS 1143-38-0
Molecular Weight (g/mol) 226.23
ChEBI CHEBI:37510
MDL Number MFCD00053409
SMILES OC1=CC=CC2=C1C(=O)C1=C(O)C=CC=C1C2
IUPAC Name 1,8-dihydroxy-9,10-dihydroanthracen-9-one
InChI Key NUZWLKWWNNJHPT-UHFFFAOYSA-N
Molecular Formula C14H10O3
5

7,12-Dimethylbenz[a]anthracene, 98%

CAS: 57-97-6 Molecular Formula: C20H16 Molecular Weight (g/mol): 256.34 MDL Number: MFCD00003600 InChI Key: ARSRBNBHOADGJU-UHFFFAOYSA-N Synonym: dmba,7,12-dimethylbenz a anthracene,7,12-dimethylbenzanthracene,9,10-dimethyl-1,2-benzanthracene,7,12-dmba,7,12-dimethylbenzo a anthracene,7,12-dimethylbenzanthrancene,6,7-dimethyl-1,2-benzanthracene,1,4-dimethyl-2,3-benzphenanthrene PubChem CID: 6001 ChEBI: CHEBI:254496 IUPAC Name: 7,12-dimethylbenzo[a]anthracene SMILES: CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C

PubChem CID 6001
CAS 57-97-6
Molecular Weight (g/mol) 256.34
ChEBI CHEBI:254496
MDL Number MFCD00003600
SMILES CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C
Synonym dmba,7,12-dimethylbenz a anthracene,7,12-dimethylbenzanthracene,9,10-dimethyl-1,2-benzanthracene,7,12-dmba,7,12-dimethylbenzo a anthracene,7,12-dimethylbenzanthrancene,6,7-dimethyl-1,2-benzanthracene,1,4-dimethyl-2,3-benzphenanthrene
IUPAC Name 7,12-dimethylbenzo[a]anthracene
InChI Key ARSRBNBHOADGJU-UHFFFAOYSA-N
Molecular Formula C20H16
6

9-(Chloromethyl)anthracene, 98+%

CAS: 24463-19-2 Molecular Formula: C15H11Cl Molecular Weight (g/mol): 226.7 MDL Number: MFCD00001263 InChI Key: PCVRSXXPGXRVEZ-UHFFFAOYSA-N Synonym: 9-chloromethyl anthracene,anthracene, 9-chloromethyl,9-anthracenylmethyl chloride,ccris 7993,9-chloromethyanthracene,pubchem14854,9-chlormethyl-anthracen,acmc-209tez PubChem CID: 32385 IUPAC Name: 9-(chloromethyl)anthracene SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCl

PubChem CID 32385
CAS 24463-19-2
Molecular Weight (g/mol) 226.7
MDL Number MFCD00001263
SMILES C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CCl
Synonym 9-chloromethyl anthracene,anthracene, 9-chloromethyl,9-anthracenylmethyl chloride,ccris 7993,9-chloromethyanthracene,pubchem14854,9-chlormethyl-anthracen,acmc-209tez
IUPAC Name 9-(chloromethyl)anthracene
InChI Key PCVRSXXPGXRVEZ-UHFFFAOYSA-N
Molecular Formula C15H11Cl
7

5,3',4'-Trihydroxyflavone (>85%), TRC

CAS: 19852-25-6 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one SMILES: Oc1ccc(cc1O)C2=CC(=O)c3c(O)cccc3O2

CAS 19852-25-6
Molecular Weight (g/mol) 270.24
SMILES Oc1ccc(cc1O)C2=CC(=O)c3c(O)cccc3O2
IUPAC Name 2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
Molecular Formula C15H10O5
8

9-Anthraldehyde, 98%

CAS: 642-31-9 Molecular Formula: C15H10O Molecular Weight (g/mol): 206.24 MDL Number: MFCD00001254 InChI Key: YMNKUHIVVMFOFO-UHFFFAOYSA-N Synonym: 9-anthraldehyde,9-anthracenecarboxaldehyde,9-anthrylaldehyde,9-formylanthracene,9-anthracenecarbaldehyde,9-anthrylcarboxaldehyde,ccris 3165,nsc 15,anthracene-9-aldehyde,anthracene-9-carboxaldehyde PubChem CID: 69504 IUPAC Name: anthracene-9-carbaldehyde SMILES: O=CC1=C2C=CC=CC2=CC2=CC=CC=C12

PubChem CID 69504
CAS 642-31-9
Molecular Weight (g/mol) 206.24
MDL Number MFCD00001254
SMILES O=CC1=C2C=CC=CC2=CC2=CC=CC=C12
Synonym 9-anthraldehyde,9-anthracenecarboxaldehyde,9-anthrylaldehyde,9-formylanthracene,9-anthracenecarbaldehyde,9-anthrylcarboxaldehyde,ccris 3165,nsc 15,anthracene-9-aldehyde,anthracene-9-carboxaldehyde
IUPAC Name anthracene-9-carbaldehyde
InChI Key YMNKUHIVVMFOFO-UHFFFAOYSA-N
Molecular Formula C15H10O
9

Disperse Blue 3 (20% dye content), TRC

Molecular Formula: C17H16N2O3 Molecular Weight (g/mol): 296.33 IUPAC Name: 1-((2-hydroxyethyl)amino)-4-(methylamino)anthracene-9,10-dione SMILES: O=C(C1=C2C=CC=C1)C3=C(C(NC)=CC=C3NCCO)C2=O

Molecular Weight (g/mol) 296.33
SMILES O=C(C1=C2C=CC=C1)C3=C(C(NC)=CC=C3NCCO)C2=O
IUPAC Name 1-((2-hydroxyethyl)amino)-4-(methylamino)anthracene-9,10-dione
Molecular Formula C17H16N2O3
10

C.I.Vat Yellow 2 (Technical Grade), TRC

CAS: 129-09-9 Molecular Formula: C28H14N2O2S2 Molecular Weight (g/mol): 474.56 IUPAC Name: 6,16-diphenyl-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),3(11),4(8),6,9,14(18),16,19-octaene-2,12-dione SMILES: O=C1c2ccc3nc(sc3c2C(=O)c4ccc5nc(sc5c14)c6ccccc6)c7ccccc7

CAS 129-09-9
Molecular Weight (g/mol) 474.56
SMILES O=C1c2ccc3nc(sc3c2C(=O)c4ccc5nc(sc5c14)c6ccccc6)c7ccccc7
IUPAC Name 6,16-diphenyl-5,15-dithia-7,17-diazapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1(13),3(11),4(8),6,9,14(18),16,19-octaene-2,12-dione
Molecular Formula C28H14N2O2S2
11

Triacetyl Aloe-emodin (Impurity A), TRC

CAS: 25395-11-3 Molecular Formula: C21H16O8 Molecular Weight (g/mol): 396.35 Synonym: 1,8-Bis(acetyloxy)-3-[(acetyloxy)methyl]-9,10-anthracenedione,1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone Triacetate,Aloe-emodin Impurity A IUPAC Name: (4,5-diacetyloxy-9,10-dioxoanthracen-2-yl)methyl acetate SMILES: CC(=O)OCc1cc(OC(=O)C)c2C(=O)c3c(OC(=O)C)cccc3C(=O)c2c1

CAS 25395-11-3
Molecular Weight (g/mol) 396.35
SMILES CC(=O)OCc1cc(OC(=O)C)c2C(=O)c3c(OC(=O)C)cccc3C(=O)c2c1
Synonym 1,8-Bis(acetyloxy)-3-[(acetyloxy)methyl]-9,10-anthracenedione,1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone Triacetate,Aloe-emodin Impurity A
IUPAC Name (4,5-diacetyloxy-9,10-dioxoanthracen-2-yl)methyl acetate
Molecular Formula C21H16O8
12

Benzoctamine Hydrochloride, TRC

CAS: 10085-81-1 Molecular Formula: C18 H19 N . Cl H Molecular Weight (g/mol): 285.81 Synonym: 9,10-Ethanoanthracene-9(10H)-methanamine, N-methyl-, hydrochloride,9,10-Ethanoanthracene-9(10H)-methylamine, N-methyl-, hydrochloride,9-(Methylaminomethyl)-9,10-dihydro-9,10-ethanoanthracene hydrochloride,Ba-30803,Benzoctamine hydrochloride,Tacitin,Tracitin,9,10-Ethanoanthracene-9(10H)-methanamine, N-methyl-, hydrochloride (1:1) IUPAC Name: N-Methyl-9,10-ethanoanthracene-9(10H)-methanamine hydrochloride SMILES: Cl.CNCC12CCC(c3ccccc13)c4ccccc24

CAS 10085-81-1
Molecular Weight (g/mol) 285.81
SMILES Cl.CNCC12CCC(c3ccccc13)c4ccccc24
Synonym 9,10-Ethanoanthracene-9(10H)-methanamine, N-methyl-, hydrochloride,9,10-Ethanoanthracene-9(10H)-methylamine, N-methyl-, hydrochloride,9-(Methylaminomethyl)-9,10-dihydro-9,10-ethanoanthracene hydrochloride,Ba-30803,Benzoctamine hydrochloride,Tacitin,Tracitin,9,10-Ethanoanthracene-9(10H)-methanamine, N-methyl-, hydrochloride (1:1)
IUPAC Name N-Methyl-9,10-ethanoanthracene-9(10H)-methanamine hydrochloride
Molecular Formula C18 H19 N . Cl H
13

Desmethylmaprotiline Hydrochloride, TRC

CAS: 92202-51-2 Molecular Formula: C19 H21 N . Cl H Molecular Weight (g/mol): 299.84 Synonym: 9,10-Ethanoanthracene-9(10H)-propanamine, hydrochloride (9CI),Demethylmaprotiline hydrochloride,Desmethylmaprotiline hydrochloride,N-Desmethylmaprotiline hydrochloride,Normaprotiline hydrochloride,3-(9,10-Ethanoanthracen-9(10H)-yl)propan-1-amine hydrochloride,Maprotiline-desmethyl Hydrochloride IUPAC Name: 3-(9,10-Ethanoanthracen-9(10H)-yl)propan-1-amine hydrochloride SMILES: Cl.NCCCC12CCC(c3ccccc13)c4ccccc24

CAS 92202-51-2
Molecular Weight (g/mol) 299.84
SMILES Cl.NCCCC12CCC(c3ccccc13)c4ccccc24
Synonym 9,10-Ethanoanthracene-9(10H)-propanamine, hydrochloride (9CI),Demethylmaprotiline hydrochloride,Desmethylmaprotiline hydrochloride,N-Desmethylmaprotiline hydrochloride,Normaprotiline hydrochloride,3-(9,10-Ethanoanthracen-9(10H)-yl)propan-1-amine hydrochloride,Maprotiline-desmethyl Hydrochloride
IUPAC Name 3-(9,10-Ethanoanthracen-9(10H)-yl)propan-1-amine hydrochloride
Molecular Formula C19 H21 N . Cl H
14

9,10-Dibromoanthracene, 96%

CAS: 523-27-3 Molecular Formula: C14H8Br2 Molecular Weight (g/mol): 336.02 MDL Number: MFCD00001244 InChI Key: BRUOAURMAFDGLP-UHFFFAOYSA-N Synonym: anthracene, 9,10-dibromo,9,10-dibromo-anthracene,unii-61cp7c5y82,9,10-dibromanthracen,9,10-dibromo anthracenen,pubchem15115,9,10 dibromoanthracene,anthracene,10-dibromo,9,10-dibromoanthracene,acmc-1az4y PubChem CID: 68226 IUPAC Name: 9,10-dibromoanthracene SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Br)Br

PubChem CID 68226
CAS 523-27-3
Molecular Weight (g/mol) 336.02
MDL Number MFCD00001244
SMILES C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Br)Br
Synonym anthracene, 9,10-dibromo,9,10-dibromo-anthracene,unii-61cp7c5y82,9,10-dibromanthracen,9,10-dibromo anthracenen,pubchem15115,9,10 dibromoanthracene,anthracene,10-dibromo,9,10-dibromoanthracene,acmc-1az4y
IUPAC Name 9,10-dibromoanthracene
InChI Key BRUOAURMAFDGLP-UHFFFAOYSA-N
Molecular Formula C14H8Br2
15

1,2-Dihydroxy-3-nitroanthraquinone, TRC

CAS: 568-93-4 Molecular Formula: C14H7NO6 Molecular Weight (g/mol): 285.21 SMILES: Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[N+](=O)[O-]

CAS 568-93-4
Molecular Weight (g/mol) 285.21
SMILES Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[N+](=O)[O-]
Molecular Formula C14H7NO6