Benzenoids
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Anthrone, 95%, pure
CAS: 90-44-8 Molecular Formula: C14H10O Molecular Weight (g/mol): 194.23 MDL Number: MFCD00001187 InChI Key: RJGDLRCDCYRQOQ-UHFFFAOYSA-N Synonym: anthrone,9 10h-anthracenone,carbothrone,anthranone,9-oxoanthracene,9,10-dihydro-9-oxoanthracene,az-o,anthracen-9 10h-one,anthracene, 9,10-dihydro-9-oxo,unii-fp0fj7k744 PubChem CID: 7018 ChEBI: CHEBI:33835 IUPAC Name: 10H-anthracen-9-one SMILES: O=C1C2=CC=CC=C2CC2=CC=CC=C12
| PubChem CID | 7018 |
|---|---|
| CAS | 90-44-8 |
| Molecular Weight (g/mol) | 194.23 |
| ChEBI | CHEBI:33835 |
| MDL Number | MFCD00001187 |
| SMILES | O=C1C2=CC=CC=C2CC2=CC=CC=C12 |
| Synonym | anthrone,9 10h-anthracenone,carbothrone,anthranone,9-oxoanthracene,9,10-dihydro-9-oxoanthracene,az-o,anthracen-9 10h-one,anthracene, 9,10-dihydro-9-oxo,unii-fp0fj7k744 |
| IUPAC Name | 10H-anthracen-9-one |
| InChI Key | RJGDLRCDCYRQOQ-UHFFFAOYSA-N |
| Molecular Formula | C14H10O |
Melanin, MP Biomedicals™
CAS: 8049-97-6 Molecular Formula: C18H10N2O4 Molecular Weight (g/mol): 318.288 InChI Key: XUMBMVFBXHLACL-UHFFFAOYSA-N Synonym: melanin,phaeomelanins,d0wq4g,melanin from sepia officinalis,6,14-dimethyl-4,12-diazapentacyclo 8.6.1.1; 2,5 .0; 13,17 .0; 9,18 octadeca-1 17 ,2,5,9 18 ,10,13-hexaene-7,8,15,16-tetrone,6,14-dimethyl-4,12-diazapentacyclo 8.6.1.1^ 2,5 .0^ 13,17 .0^ 9,18 octadeca-1 17 ,2,5,9 18 ,10,13-hexaene-7,8,15,16-tetrone PubChem CID: 6325610 SMILES: CC1=C2C3=C(C4=CNC5=C(C(=O)C(=O)C(=C45)C3=CN2)C)C(=O)C1=O
| PubChem CID | 6325610 |
|---|---|
| CAS | 8049-97-6 |
| Molecular Weight (g/mol) | 318.288 |
| SMILES | CC1=C2C3=C(C4=CNC5=C(C(=O)C(=O)C(=C45)C3=CN2)C)C(=O)C1=O |
| Synonym | melanin,phaeomelanins,d0wq4g,melanin from sepia officinalis,6,14-dimethyl-4,12-diazapentacyclo 8.6.1.1; 2,5 .0; 13,17 .0; 9,18 octadeca-1 17 ,2,5,9 18 ,10,13-hexaene-7,8,15,16-tetrone,6,14-dimethyl-4,12-diazapentacyclo 8.6.1.1^ 2,5 .0^ 13,17 .0^ 9,18 octadeca-1 17 ,2,5,9 18 ,10,13-hexaene-7,8,15,16-tetrone |
| InChI Key | XUMBMVFBXHLACL-UHFFFAOYSA-N |
| Molecular Formula | C18H10N2O4 |
9,10-Dibromoanthracene, 98%
CAS: 523-27-3 Molecular Formula: C14H8Br2 Molecular Weight (g/mol): 336.026 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) | 336.026 |
| 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 |
2-Bromoanthracene, 98%, Thermo Scientific Chemicals
CAS: 7321-27-9 Molecular Formula: C14H9Br Molecular Weight (g/mol): 257.13 MDL Number: MFCD07784002 InChI Key: PYXBCVWIECUMDW-UHFFFAOYSA-N Synonym: 2-bromo-anthracene,anthracene, 2-bromo,pubchem19987,acmc-209opw,ksc377a5l PubChem CID: 12346099 IUPAC Name: 2-bromoanthracene SMILES: BrC1=CC2=CC3=CC=CC=C3C=C2C=C1
| PubChem CID | 12346099 |
|---|---|
| CAS | 7321-27-9 |
| Molecular Weight (g/mol) | 257.13 |
| MDL Number | MFCD07784002 |
| SMILES | BrC1=CC2=CC3=CC=CC=C3C=C2C=C1 |
| Synonym | 2-bromo-anthracene,anthracene, 2-bromo,pubchem19987,acmc-209opw,ksc377a5l |
| IUPAC Name | 2-bromoanthracene |
| InChI Key | PYXBCVWIECUMDW-UHFFFAOYSA-N |
| Molecular Formula | C14H9Br |
Maprotiline hydrochloride, 99%
CAS: 10347-81-6 Molecular Formula: C20H24ClN Molecular Weight (g/mol): 313.87 MDL Number: MFCD00079464 InChI Key: NZDMFGKECODQRY-UHFFFAOYSA-N Synonym: maprotiline hydrochloride,maprotiline hcl,ludiomil,psymion,maprotilline hcl,ciba 34276 ba,unii-7c8j54pvfi,deprilept,9-gamma-methylaminopropyl-9,10-dihydro-9,10-ethanoanthracene hydrochloride PubChem CID: 71478 IUPAC Name: hydrogen methyl(3-{tetracyclo[6.6.2.0²,⁷.0⁹,¹⁴]hexadeca-2,4,6,9,11,13-hexaen-1-yl}propyl)amine chloride SMILES: [H+].[Cl-].CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21
| PubChem CID | 71478 |
|---|---|
| CAS | 10347-81-6 |
| Molecular Weight (g/mol) | 313.87 |
| MDL Number | MFCD00079464 |
| SMILES | [H+].[Cl-].CNCCCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 |
| Synonym | maprotiline hydrochloride,maprotiline hcl,ludiomil,psymion,maprotilline hcl,ciba 34276 ba,unii-7c8j54pvfi,deprilept,9-gamma-methylaminopropyl-9,10-dihydro-9,10-ethanoanthracene hydrochloride |
| IUPAC Name | hydrogen methyl(3-{tetracyclo[6.6.2.0²,⁷.0⁹,¹⁴]hexadeca-2,4,6,9,11,13-hexaen-1-yl}propyl)amine chloride |
| InChI Key | NZDMFGKECODQRY-UHFFFAOYSA-N |
| Molecular Formula | C20H24ClN |
9-Bromoanthracene, 96%
CAS: 1564-64-3 Molecular Formula: C14H9Br Molecular Weight (g/mol): 257.13 MDL Number: MFCD00001243 InChI Key: ZIRVQSRSPDUEOJ-UHFFFAOYSA-N Synonym: anthracene, 9-bromo,9-bromo anthracene,9-bromo-anthracene,9-anthracenyl bromide,9-bromanthracen,pubchem9183,9-bromoanthrene,acmc-209ddx,9-bromoanthracene,dsstox_cid_29080 PubChem CID: 74062 IUPAC Name: 9-bromoanthracene SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Br
| PubChem CID | 74062 |
|---|---|
| CAS | 1564-64-3 |
| Molecular Weight (g/mol) | 257.13 |
| MDL Number | MFCD00001243 |
| SMILES | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2Br |
| Synonym | anthracene, 9-bromo,9-bromo anthracene,9-bromo-anthracene,9-anthracenyl bromide,9-bromanthracen,pubchem9183,9-bromoanthrene,acmc-209ddx,9-bromoanthracene,dsstox_cid_29080 |
| IUPAC Name | 9-bromoanthracene |
| InChI Key | ZIRVQSRSPDUEOJ-UHFFFAOYSA-N |
| Molecular Formula | C14H9Br |
Anthracene-9,10-diboronic acid bis(pinacol) ester, 95%
CAS: 863992-56-7 Molecular Formula: C26H32B2O4 Molecular Weight (g/mol): 430.16 MDL Number: MFCD16294538 InChI Key: ZLXSWNVYGSZXOP-UHFFFAOYSA-N Synonym: 9,10-anthracenediboronic acid bis pinacol ester,9,10-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl anthracene,4,4,5,5-tetramethyl-2-10-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl anthracen-9-yl-1,3,2-dioxaborolane,amtb237,anthracene-9,10-diboronic acid bis pinacol ester,9,10-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolanyl anthracene,9,10-bis 4,4,5,5-tetramethyl 1.3.2 dioxaborolan-2-yl anthracene,9,10-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl anthracene,1,3,2-dioxaborolane, 2,2'-9,10-anthracenediyl bis 4,4,5,5-tetramethyl PubChem CID: 57415691 IUPAC Name: 4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=C2C=CC=CC2=C(B2OC(C)(C)C(C)(C)O2)C2=CC=CC=C12
| PubChem CID | 57415691 |
|---|---|
| CAS | 863992-56-7 |
| Molecular Weight (g/mol) | 430.16 |
| MDL Number | MFCD16294538 |
| SMILES | CC1(C)OB(OC1(C)C)C1=C2C=CC=CC2=C(B2OC(C)(C)C(C)(C)O2)C2=CC=CC=C12 |
| Synonym | 9,10-anthracenediboronic acid bis pinacol ester,9,10-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl anthracene,4,4,5,5-tetramethyl-2-10-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl anthracen-9-yl-1,3,2-dioxaborolane,amtb237,anthracene-9,10-diboronic acid bis pinacol ester,9,10-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolanyl anthracene,9,10-bis 4,4,5,5-tetramethyl 1.3.2 dioxaborolan-2-yl anthracene,9,10-bis 4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl anthracene,1,3,2-dioxaborolane, 2,2'-9,10-anthracenediyl bis 4,4,5,5-tetramethyl |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane |
| InChI Key | ZLXSWNVYGSZXOP-UHFFFAOYSA-N |
| Molecular Formula | C26H32B2O4 |
5-Bromo-2-hydroxy-3-methoxybenzaldehyde, 97%, Thermo Scientific™
CAS: 5034-74-2 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.045 MDL Number: MFCD00016593 InChI Key: MMFKBTPDEVLIOR-UHFFFAOYSA-N PubChem CID: 262238 IUPAC Name: 5-bromo-2-hydroxy-3-methoxybenzaldehyde SMILES: COC1=C(C(=CC(=C1)Br)C=O)O
| PubChem CID | 262238 |
|---|---|
| CAS | 5034-74-2 |
| Molecular Weight (g/mol) | 231.045 |
| MDL Number | MFCD00016593 |
| SMILES | COC1=C(C(=CC(=C1)Br)C=O)O |
| IUPAC Name | 5-bromo-2-hydroxy-3-methoxybenzaldehyde |
| InChI Key | MMFKBTPDEVLIOR-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3 |
4-Nitrobenzyl Alcohol, Spectrum™ Chemical
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CAS: 619-73-8
| CAS | 619-73-8 |
|---|
LiChropur™ ™-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride, 99.0%, MilliporeSigma™ Supelco™
Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.62 MDL Number: MFCD00044400 InChI Key: PAORVUMOXXAMPL-VIFPVBQESA-N Synonym: (R)-(-)-MTPA-Cl; Mosher's acid chloride IUPAC Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F
| Molecular Weight (g/mol) | 252.62 |
|---|---|
| MDL Number | MFCD00044400 |
| SMILES | CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F |
| Synonym | (R)-(-)-MTPA-Cl; Mosher's acid chloride |
| IUPAC Name | (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride |
| InChI Key | PAORVUMOXXAMPL-VIFPVBQESA-N |
| Molecular Formula | C10H8ClF3O2 |
1,4-Benzenedimethanol, 99%
CAS: 589-29-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00004665 InChI Key: BWVAOONFBYYRHY-UHFFFAOYSA-N Synonym: 1,4-benzenedimethanol,p-xylylene glycol,p-xylene glycol,terephthalyl alcohol,4-hydroxymethyl phenyl methanol,1,4-xylylene glycol,1,4-phenylenedimethanol,p-benzenedimethanol,p-xylylenediol,1,4-dimethylolbenzene PubChem CID: 11506 IUPAC Name: [4-(hydroxymethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CO)CO
| PubChem CID | 11506 |
|---|---|
| CAS | 589-29-7 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00004665 |
| SMILES | C1=CC(=CC=C1CO)CO |
| Synonym | 1,4-benzenedimethanol,p-xylylene glycol,p-xylene glycol,terephthalyl alcohol,4-hydroxymethyl phenyl methanol,1,4-xylylene glycol,1,4-phenylenedimethanol,p-benzenedimethanol,p-xylylenediol,1,4-dimethylolbenzene |
| IUPAC Name | [4-(hydroxymethyl)phenyl]methanol |
| InChI Key | BWVAOONFBYYRHY-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
3,4-difluorobenzyl Chloride, 98%
CAS: 698-80-6 Molecular Formula: C7H5ClF2 Molecular Weight (g/mol): 162.56 MDL Number: MFCD00236218 InChI Key: VTGRVYJPIVZZGS-UHFFFAOYSA-N Synonym: 3,4-difluorobenzyl chloride,4-chloromethyl-1,2-difluorobenzene,3,4-difluorobenzylchloride,benzene, 4-chloromethyl-1,2-difluoro,1-chloromethyl-3,4-difluorobenzene,alpha-chloro-3,4-difluorotoluene,3, 4-difluorobenzyl chloride,pubchem7357,4-chloromethyl-1,2-difluoro-benzene PubChem CID: 2736954 IUPAC Name: 4-(chloromethyl)-1,2-difluorobenzene SMILES: FC1=CC=C(CCl)C=C1F
| PubChem CID | 2736954 |
|---|---|
| CAS | 698-80-6 |
| Molecular Weight (g/mol) | 162.56 |
| MDL Number | MFCD00236218 |
| SMILES | FC1=CC=C(CCl)C=C1F |
| Synonym | 3,4-difluorobenzyl chloride,4-chloromethyl-1,2-difluorobenzene,3,4-difluorobenzylchloride,benzene, 4-chloromethyl-1,2-difluoro,1-chloromethyl-3,4-difluorobenzene,alpha-chloro-3,4-difluorotoluene,3, 4-difluorobenzyl chloride,pubchem7357,4-chloromethyl-1,2-difluoro-benzene |
| IUPAC Name | 4-(chloromethyl)-1,2-difluorobenzene |
| InChI Key | VTGRVYJPIVZZGS-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClF2 |
3,5-Difluoro-4-methoxybenzyl bromide, 97%
CAS: 706786-42-7 Molecular Formula: C8H7BrF2O Molecular Weight (g/mol): 237.04 MDL Number: MFCD04115916 InChI Key: IQTBMXJVMUSGSL-UHFFFAOYSA-N Synonym: 3,5-difluoro-4-methoxybenzyl bromide,5-bromomethyl-1,3-difluoro-2-methoxybenzene,4-bromomethyl-2,6-difluoroanisole,benzene, 5-bromomethyl-1,3-difluoro-2-methoxy PubChem CID: 17750664 IUPAC Name: 5-(bromomethyl)-1,3-difluoro-2-methoxybenzene SMILES: COC1=C(F)C=C(CBr)C=C1F
| PubChem CID | 17750664 |
|---|---|
| CAS | 706786-42-7 |
| Molecular Weight (g/mol) | 237.04 |
| MDL Number | MFCD04115916 |
| SMILES | COC1=C(F)C=C(CBr)C=C1F |
| Synonym | 3,5-difluoro-4-methoxybenzyl bromide,5-bromomethyl-1,3-difluoro-2-methoxybenzene,4-bromomethyl-2,6-difluoroanisole,benzene, 5-bromomethyl-1,3-difluoro-2-methoxy |
| IUPAC Name | 5-(bromomethyl)-1,3-difluoro-2-methoxybenzene |
| InChI Key | IQTBMXJVMUSGSL-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrF2O |
2-Chlorobenzyl bromide, 97%
CAS: 611-17-6 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.479 MDL Number: MFCD00000566 InChI Key: PURSZYWBIQIANP-UHFFFAOYSA-N Synonym: 2-chlorobenzyl bromide,1-bromomethyl-2-chlorobenzene,o-chlorobenzyl bromide,2-chlorobenzylbromide,benzene, 1-bromomethyl-2-chloro,alpha-bromo-2-chlorotoluene,unii-cev23h8uv4,2chlorobenzyl bromide,alpha-bromo-o-chlorotoluene,cev23h8uv4 PubChem CID: 11905 IUPAC Name: 1-(bromomethyl)-2-chlorobenzene SMILES: C1=CC=C(C(=C1)CBr)Cl
| PubChem CID | 11905 |
|---|---|
| CAS | 611-17-6 |
| Molecular Weight (g/mol) | 205.479 |
| MDL Number | MFCD00000566 |
| SMILES | C1=CC=C(C(=C1)CBr)Cl |
| Synonym | 2-chlorobenzyl bromide,1-bromomethyl-2-chlorobenzene,o-chlorobenzyl bromide,2-chlorobenzylbromide,benzene, 1-bromomethyl-2-chloro,alpha-bromo-2-chlorotoluene,unii-cev23h8uv4,2chlorobenzyl bromide,alpha-bromo-o-chlorotoluene,cev23h8uv4 |
| IUPAC Name | 1-(bromomethyl)-2-chlorobenzene |
| InChI Key | PURSZYWBIQIANP-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrCl |
2,3,4,5,6-Pentafluorobenzyl bromide, 97%
CAS: 1765-40-8 Molecular Formula: C7H2BrF5 Molecular Weight (g/mol): 260.989 MDL Number: MFCD00000299 InChI Key: XDEPVFFKOVDUNO-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzyl bromide,pentafluorobenzyl bromide,1-bromomethyl-2,3,4,5,6-pentafluorobenzene,1-bromomethylpentafluorobenzene,alpha-bromo-2,3,4,5,6-pentafluorotoluene,bromomethyl pentafluorobenzene,benzene, bromomethyl pentafluoro,2,3,4,5,6-pentafluorobenzylbromide,pfbbr,pentafluorobenzylbromide PubChem CID: 74484 IUPAC Name: 1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)Br
| PubChem CID | 74484 |
|---|---|
| CAS | 1765-40-8 |
| Molecular Weight (g/mol) | 260.989 |
| MDL Number | MFCD00000299 |
| SMILES | C(C1=C(C(=C(C(=C1F)F)F)F)F)Br |
| Synonym | 2,3,4,5,6-pentafluorobenzyl bromide,pentafluorobenzyl bromide,1-bromomethyl-2,3,4,5,6-pentafluorobenzene,1-bromomethylpentafluorobenzene,alpha-bromo-2,3,4,5,6-pentafluorotoluene,bromomethyl pentafluorobenzene,benzene, bromomethyl pentafluoro,2,3,4,5,6-pentafluorobenzylbromide,pfbbr,pentafluorobenzylbromide |
| IUPAC Name | 1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene |
| InChI Key | XDEPVFFKOVDUNO-UHFFFAOYSA-N |
| Molecular Formula | C7H2BrF5 |