Benzenoids
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1,1-Diphenylethylene oxide
CAS: 882-59-7 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00040725 InChI Key: PRLJMHVNHLTQJJ-UHFFFAOYSA-N Synonym: 1,1-diphenylethylene oxide,oxirane, 2,2-diphenyl,diphenyloxirane,2,2-diphenyl-oxirane,2,2-diphenyl oxirane,#,1,1-diphenyl-ethylenoxide,1,1-diphenyl-ethylene oxide,1,1-diphenyl-1,2-epoxyethane PubChem CID: 93564 IUPAC Name: 2,2-diphenyloxirane SMILES: C1C(O1)(C2=CC=CC=C2)C3=CC=CC=C3
| PubChem CID | 93564 |
|---|---|
| CAS | 882-59-7 |
| Molecular Weight (g/mol) | 196.25 |
| MDL Number | MFCD00040725 |
| SMILES | C1C(O1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| Synonym | 1,1-diphenylethylene oxide,oxirane, 2,2-diphenyl,diphenyloxirane,2,2-diphenyl-oxirane,2,2-diphenyl oxirane,#,1,1-diphenyl-ethylenoxide,1,1-diphenyl-ethylene oxide,1,1-diphenyl-1,2-epoxyethane |
| IUPAC Name | 2,2-diphenyloxirane |
| InChI Key | PRLJMHVNHLTQJJ-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |
p-Anisylchlorodiphenylmethane, 97%
CAS: 14470-28-1 Molecular Formula: C20H17ClO Molecular Weight (g/mol): 308.8 MDL Number: MFCD00000814 InChI Key: OBOHMJWDFPBPKD-UHFFFAOYSA-N Synonym: 4-methoxytriphenylchloromethane,4-methoxytrityl chloride,4-methoxytriphenylmethyl chloride,4-monomethoxytrityl chloride,mmtrcl,p-chlorodiphenylmethyl anisole,p-anisylchlorodiphenylmethane,1-chlorodiphenylmethyl-4-methoxybenzene,chloro 4-methoxyphenyl methylene dibenzene,4-methoxytritylchloride PubChem CID: 84462 IUPAC Name: 1-[chloro(diphenyl)methyl]-4-methoxybenzene SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Cl
| PubChem CID | 84462 |
|---|---|
| CAS | 14470-28-1 |
| Molecular Weight (g/mol) | 308.8 |
| MDL Number | MFCD00000814 |
| SMILES | COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Cl |
| Synonym | 4-methoxytriphenylchloromethane,4-methoxytrityl chloride,4-methoxytriphenylmethyl chloride,4-monomethoxytrityl chloride,mmtrcl,p-chlorodiphenylmethyl anisole,p-anisylchlorodiphenylmethane,1-chlorodiphenylmethyl-4-methoxybenzene,chloro 4-methoxyphenyl methylene dibenzene,4-methoxytritylchloride |
| IUPAC Name | 1-[chloro(diphenyl)methyl]-4-methoxybenzene |
| InChI Key | OBOHMJWDFPBPKD-UHFFFAOYSA-N |
| Molecular Formula | C20H17ClO |
Anisonitrile, 99%
CAS: 874-90-8 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001818 InChI Key: XDJAAZYHCCRJOK-UHFFFAOYSA-N Synonym: anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile PubChem CID: 70129 IUPAC Name: 4-methoxybenzonitrile SMILES: COC1=CC=C(C=C1)C#N
| PubChem CID | 70129 |
|---|---|
| CAS | 874-90-8 |
| Molecular Weight (g/mol) | 133.15 |
| MDL Number | MFCD00001818 |
| SMILES | COC1=CC=C(C=C1)C#N |
| Synonym | anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile |
| IUPAC Name | 4-methoxybenzonitrile |
| InChI Key | XDJAAZYHCCRJOK-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO |
1-Iodo-2-nitrobenzene, 97%, Thermo Scientific Chemicals
CAS: 609-73-4 Molecular Formula: C6H4INO2 Molecular Weight (g/mol): 249.01 MDL Number: MFCD00007088 InChI Key: JXMZUNPWVXQADG-UHFFFAOYSA-N Synonym: 2-iodonitrobenzene,o-iodonitrobenzene,o-nitroiodobenzene,benzene, 1-iodo-2-nitro,2-nitroiodobenzene,2-iodo-1-nitrobenzene,1-iodo-2-nitro-benzene,2-iodo-nitrobenzene,2-nitro-iodobenzene,benzene, iodonitro PubChem CID: 69115 IUPAC Name: 1-iodo-2-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC=C1I
| PubChem CID | 69115 |
|---|---|
| CAS | 609-73-4 |
| Molecular Weight (g/mol) | 249.01 |
| MDL Number | MFCD00007088 |
| SMILES | [O-][N+](=O)C1=CC=CC=C1I |
| Synonym | 2-iodonitrobenzene,o-iodonitrobenzene,o-nitroiodobenzene,benzene, 1-iodo-2-nitro,2-nitroiodobenzene,2-iodo-1-nitrobenzene,1-iodo-2-nitro-benzene,2-iodo-nitrobenzene,2-nitro-iodobenzene,benzene, iodonitro |
| IUPAC Name | 1-iodo-2-nitrobenzene |
| InChI Key | JXMZUNPWVXQADG-UHFFFAOYSA-N |
| Molecular Formula | C6H4INO2 |
4-Methoxystyrene, 96%, stabilized
CAS: 637-69-4 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00008619 InChI Key: UAJRSHJHFRVGMG-UHFFFAOYSA-N Synonym: 4-methoxystyrene,1-methoxy-4-vinylbenzene,p-methoxystyrene,4-vinylanisole,benzene, 1-ethenyl-4-methoxy,p-vinylanisole,anisole, p-vinyl,unii-2ish8t4a6e,ccris 4381,4-vinylanisol PubChem CID: 12507 IUPAC Name: 1-ethenyl-4-methoxybenzene SMILES: COC1=CC=C(C=C)C=C1
| PubChem CID | 12507 |
|---|---|
| CAS | 637-69-4 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00008619 |
| SMILES | COC1=CC=C(C=C)C=C1 |
| Synonym | 4-methoxystyrene,1-methoxy-4-vinylbenzene,p-methoxystyrene,4-vinylanisole,benzene, 1-ethenyl-4-methoxy,p-vinylanisole,anisole, p-vinyl,unii-2ish8t4a6e,ccris 4381,4-vinylanisol |
| IUPAC Name | 1-ethenyl-4-methoxybenzene |
| InChI Key | UAJRSHJHFRVGMG-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
1,3,5-Tribromobenzene, 98%
CAS: 626-39-1 Molecular Formula: C6H3Br3 Molecular Weight (g/mol): 314.80 MDL Number: MFCD00000080 InChI Key: YWDUZLFWHVQCHY-UHFFFAOYSA-N Synonym: benzene, 1,3,5-tribromo,1,3,5-tribromo-benzene,unii-o3td0u1oaq,o3td0u1oaq,paragos 530416,1,5-tribromobenzene,pubchem9590,1,3,5-tribromobezene,benzene,3,5-tribromo,acmc-20a11o PubChem CID: 12279 IUPAC Name: 1,3,5-tribromobenzene SMILES: BrC1=CC(Br)=CC(Br)=C1
| PubChem CID | 12279 |
|---|---|
| CAS | 626-39-1 |
| Molecular Weight (g/mol) | 314.80 |
| MDL Number | MFCD00000080 |
| SMILES | BrC1=CC(Br)=CC(Br)=C1 |
| Synonym | benzene, 1,3,5-tribromo,1,3,5-tribromo-benzene,unii-o3td0u1oaq,o3td0u1oaq,paragos 530416,1,5-tribromobenzene,pubchem9590,1,3,5-tribromobezene,benzene,3,5-tribromo,acmc-20a11o |
| IUPAC Name | 1,3,5-tribromobenzene |
| InChI Key | YWDUZLFWHVQCHY-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br3 |
4-Bromophenylacetic acid, 99%
CAS: 1878-68-8 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00004342 InChI Key: QOWSWEBLNVACCL-UHFFFAOYSA-N Synonym: 4-bromophenylacetic acid,2-4-bromophenyl acetic acid,4-bromophenyl acetic acid,p-bromophenylacetic acid,4-bromobenzeneacetic acid,benzeneacetic acid, 4-bromo,p-bromophenyl acetic acid,acetic acid, p-bromophenyl,p-bromphenylessigsaure german PubChem CID: 74654 ChEBI: CHEBI:1790 IUPAC Name: 2-(4-bromophenyl)acetic acid SMILES: OC(=O)CC1=CC=C(Br)C=C1
| PubChem CID | 74654 |
|---|---|
| CAS | 1878-68-8 |
| Molecular Weight (g/mol) | 215.05 |
| ChEBI | CHEBI:1790 |
| MDL Number | MFCD00004342 |
| SMILES | OC(=O)CC1=CC=C(Br)C=C1 |
| Synonym | 4-bromophenylacetic acid,2-4-bromophenyl acetic acid,4-bromophenyl acetic acid,p-bromophenylacetic acid,4-bromobenzeneacetic acid,benzeneacetic acid, 4-bromo,p-bromophenyl acetic acid,acetic acid, p-bromophenyl,p-bromphenylessigsaure german |
| IUPAC Name | 2-(4-bromophenyl)acetic acid |
| InChI Key | QOWSWEBLNVACCL-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
1-Nitroso-2-naphthol, 98%
CAS: 131-91-9 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.17 MDL Number: MFCD00003884 InChI Key: YXAOOTNFFAQIPZ-UHFFFAOYSA-N Synonym: 1-nitroso-2-naphthol,2-naphthalenol, 1-nitroso,nitroso-beta-naphthol,2-naphthol, 1-nitroso,1-nitroso-2-naftol,zelen moridlova 4,zelen moridlova 4 czech,alpha-nitroso-beta-naphthol,1-nitroso-2-naftol czech,unii-757i55u2qx PubChem CID: 8580 IUPAC Name: 1-nitrosonaphthalen-2-ol SMILES: C1=CC=C2C(=C1)C=CC(=C2N=O)O
| PubChem CID | 8580 |
|---|---|
| CAS | 131-91-9 |
| Molecular Weight (g/mol) | 173.17 |
| MDL Number | MFCD00003884 |
| SMILES | C1=CC=C2C(=C1)C=CC(=C2N=O)O |
| Synonym | 1-nitroso-2-naphthol,2-naphthalenol, 1-nitroso,nitroso-beta-naphthol,2-naphthol, 1-nitroso,1-nitroso-2-naftol,zelen moridlova 4,zelen moridlova 4 czech,alpha-nitroso-beta-naphthol,1-nitroso-2-naftol czech,unii-757i55u2qx |
| IUPAC Name | 1-nitrosonaphthalen-2-ol |
| InChI Key | YXAOOTNFFAQIPZ-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO2 |
trans-Anethole, 99%
CAS: 4180-23-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00009284 InChI Key: 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]benzene SMILES: CC=CC1=CC=C(C=C1)OC
| PubChem CID | 637563 |
|---|---|
| CAS | 4180-23-8 |
| Molecular Weight (g/mol) | 148.2 |
| ChEBI | CHEBI:35616 |
| MDL Number | MFCD00009284 |
| 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 |
| IUPAC Name | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| InChI Key | RUVINXPYWBROJD-ONEGZZNKSA-N |
| Molecular Formula | C10H12O |
2,4,6-Triisopropylbenzenesulfonyl chloride, 97%
CAS: 6553-96-4 Molecular Formula: C15H23ClO2S Molecular Weight (g/mol): 302.85 MDL Number: MFCD00007433 InChI Key: JAPYIBBSTJFDAK-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylbenzenesulfonyl chloride,2,4,6-triisopropylbenzene-1-sulfonyl chloride,trisyl chloride,2,4,6-triisopropylbenzenesulphonyl chloride,benzenesulfonyl chloride, 2,4,6-tris 1-methylethyl,2,4,6-triisopropylbenzenesulfonylchloride,2,4,6-triisopropyl-benzenesulfonyl chloride,tpscl 2,4,6-triisopropyl benzenesulfonyl chloride,2,4,6-triisopropylphenylsulfonyl chloride,2,4,6-triisopropyl benzenesulfonyl chloride PubChem CID: 81042 IUPAC Name: 2,4,6-tri(propan-2-yl)benzenesulfonyl chloride SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)Cl)C(C)C
| PubChem CID | 81042 |
|---|---|
| CAS | 6553-96-4 |
| Molecular Weight (g/mol) | 302.85 |
| MDL Number | MFCD00007433 |
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)Cl)C(C)C |
| Synonym | 2,4,6-triisopropylbenzenesulfonyl chloride,2,4,6-triisopropylbenzene-1-sulfonyl chloride,trisyl chloride,2,4,6-triisopropylbenzenesulphonyl chloride,benzenesulfonyl chloride, 2,4,6-tris 1-methylethyl,2,4,6-triisopropylbenzenesulfonylchloride,2,4,6-triisopropyl-benzenesulfonyl chloride,tpscl 2,4,6-triisopropyl benzenesulfonyl chloride,2,4,6-triisopropylphenylsulfonyl chloride,2,4,6-triisopropyl benzenesulfonyl chloride |
| IUPAC Name | 2,4,6-tri(propan-2-yl)benzenesulfonyl chloride |
| InChI Key | JAPYIBBSTJFDAK-UHFFFAOYSA-N |
| Molecular Formula | C15H23ClO2S |
1,2-Difluorobenzene, 98%
CAS: 367-11-3 Molecular Formula: C6H4F2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00000284 InChI Key: GOYDNIKZWGIXJT-UHFFFAOYSA-N Synonym: o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene PubChem CID: 9706 ChEBI: CHEBI:38583 IUPAC Name: 1,2-difluorobenzene SMILES: FC1=CC=CC=C1F
| PubChem CID | 9706 |
|---|---|
| CAS | 367-11-3 |
| Molecular Weight (g/mol) | 114.10 |
| ChEBI | CHEBI:38583 |
| MDL Number | MFCD00000284 |
| SMILES | FC1=CC=CC=C1F |
| Synonym | o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene |
| IUPAC Name | 1,2-difluorobenzene |
| InChI Key | GOYDNIKZWGIXJT-UHFFFAOYSA-N |
| Molecular Formula | C6H4F2 |
3,4-Dimercaptotoluene, 95%
CAS: 496-74-2 Molecular Formula: C7H8S2 Molecular Weight (g/mol): 156.27 MDL Number: MFCD00004844 InChI Key: NIAAGQAEVGMHPM-UHFFFAOYSA-N Synonym: toluene-3,4-dithiol,dithiol,1,2-benzenedithiol, 4-methyl,3,4-dimercaptotoluene,3,4-dimercaptotoluol,1,2-dimercapto-4-methylbenzene,4-methyl-1,2-benzenedithiol,3,4-toluenedithiol,o-toluenesulfonylamide,usaf b-59 PubChem CID: 10334 IUPAC Name: 4-methylbenzene-1,2-dithiol SMILES: CC1=CC(=C(C=C1)S)S
| PubChem CID | 10334 |
|---|---|
| CAS | 496-74-2 |
| Molecular Weight (g/mol) | 156.27 |
| MDL Number | MFCD00004844 |
| SMILES | CC1=CC(=C(C=C1)S)S |
| Synonym | toluene-3,4-dithiol,dithiol,1,2-benzenedithiol, 4-methyl,3,4-dimercaptotoluene,3,4-dimercaptotoluol,1,2-dimercapto-4-methylbenzene,4-methyl-1,2-benzenedithiol,3,4-toluenedithiol,o-toluenesulfonylamide,usaf b-59 |
| IUPAC Name | 4-methylbenzene-1,2-dithiol |
| InChI Key | NIAAGQAEVGMHPM-UHFFFAOYSA-N |
| Molecular Formula | C7H8S2 |
Di-n-octyl phthalate, 98%
CAS: 117-84-0 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.564 MDL Number: MFCD00015292 InChI Key: MQIUGAXCHLFZKX-UHFFFAOYSA-N Synonym: dioctyl phthalate,di-n-octyl phthalate,dinopol nop,n-octyl phthalate,vinicizer 85,phthalic acid, dioctyl ester,polycizer 162,dnop,phthalic acid di-n-octyl ester,dioctyl 1,2-benzenedicarboxylate PubChem CID: 8346 ChEBI: CHEBI:34679 IUPAC Name: dioctyl benzene-1,2-dicarboxylate SMILES: CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
| PubChem CID | 8346 |
|---|---|
| CAS | 117-84-0 |
| Molecular Weight (g/mol) | 390.564 |
| ChEBI | CHEBI:34679 |
| MDL Number | MFCD00015292 |
| SMILES | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC |
| Synonym | dioctyl phthalate,di-n-octyl phthalate,dinopol nop,n-octyl phthalate,vinicizer 85,phthalic acid, dioctyl ester,polycizer 162,dnop,phthalic acid di-n-octyl ester,dioctyl 1,2-benzenedicarboxylate |
| IUPAC Name | dioctyl benzene-1,2-dicarboxylate |
| InChI Key | MQIUGAXCHLFZKX-UHFFFAOYSA-N |
| Molecular Formula | C24H38O4 |
3,5-Di-tert-butylcatechol, 99%
CAS: 1020-31-1 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.328 MDL Number: MFCD00008819 InChI Key: PJZLSMMERMMQBJ-UHFFFAOYSA-N Synonym: 3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol PubChem CID: 66099 IUPAC Name: 3,5-ditert-butylbenzene-1,2-diol SMILES: CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C
| PubChem CID | 66099 |
|---|---|
| CAS | 1020-31-1 |
| Molecular Weight (g/mol) | 222.328 |
| MDL Number | MFCD00008819 |
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C |
| Synonym | 3,5-di-tert-butylcatechol,3,5-di-t-butylcatechol,3,5-di-tert-butylbenzene-1,2-diol,3,5-di-tert-butylpyrocatechol,1,2-benzenediol, 3,5-bis 1,1-dimethylethyl,4,6-di-tert-butylpyrocatechol,unii-1328kn3f8b,1,2-benzenediol, 3,5-di 1,1-dimethylethyl,pyrocatechol, 3,5-di-tert-butyl,3,5-bis tert-butyl benzene-1,2-diol |
| IUPAC Name | 3,5-ditert-butylbenzene-1,2-diol |
| InChI Key | PJZLSMMERMMQBJ-UHFFFAOYSA-N |
| Molecular Formula | C14H22O2 |
Naphthalene-2-sulfonic acid, 98%
CAS: 120-18-3 Molecular Formula: C10H8O3S Molecular Weight (g/mol): 208.23 MDL Number: MFCD00004089 InChI Key: KVBGVZZKJNLNJU-UHFFFAOYSA-N Synonym: 2-naphthalenesulfonic acid,beta-naphthylsulfonic acid,beta-naphthalenesulfonic acid,naphthalene-2-sulphonic acid,kyselina 2-naftalensulfonova,2-naphthalene sulfonic acid,unii-o9s4k2s25e,2-naphthylsulfonic acid,kyselina 2-naftalensulfonova czech,2-naphthalenesulfonic acid, monohydrate PubChem CID: 8420 ChEBI: CHEBI:44229 IUPAC Name: naphthalene-2-sulfonic acid SMILES: OS(=O)(=O)C1=CC=C2C=CC=CC2=C1
| PubChem CID | 8420 |
|---|---|
| CAS | 120-18-3 |
| Molecular Weight (g/mol) | 208.23 |
| ChEBI | CHEBI:44229 |
| MDL Number | MFCD00004089 |
| SMILES | OS(=O)(=O)C1=CC=C2C=CC=CC2=C1 |
| Synonym | 2-naphthalenesulfonic acid,beta-naphthylsulfonic acid,beta-naphthalenesulfonic acid,naphthalene-2-sulphonic acid,kyselina 2-naftalensulfonova,2-naphthalene sulfonic acid,unii-o9s4k2s25e,2-naphthylsulfonic acid,kyselina 2-naftalensulfonova czech,2-naphthalenesulfonic acid, monohydrate |
| IUPAC Name | naphthalene-2-sulfonic acid |
| InChI Key | KVBGVZZKJNLNJU-UHFFFAOYSA-N |
| Molecular Formula | C10H8O3S |