Benzenoids
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2,7-Dibromo-9,9-di-n-octylfluorene 98.0+%, TCI America™
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CAS: 198964-46-4 Molecular Formula: C29H40Br2 Molecular Weight (g/mol): 548.45 MDL Number: MFCD03427216 InChI Key: CYKLQIOPIMZZBZ-UHFFFAOYSA-N PubChem CID: 5215321 IUPAC Name: 2,7-dibromo-9,9-dioctyl-9H-fluorene SMILES: CCCCCCCCC1(CCCCCCCC)C2=C(C=CC(Br)=C2)C2=C1C=C(Br)C=C2
| PubChem CID | 5215321 |
|---|---|
| CAS | 198964-46-4 |
| Molecular Weight (g/mol) | 548.45 |
| MDL Number | MFCD03427216 |
| SMILES | CCCCCCCCC1(CCCCCCCC)C2=C(C=CC(Br)=C2)C2=C1C=C(Br)C=C2 |
| IUPAC Name | 2,7-dibromo-9,9-dioctyl-9H-fluorene |
| InChI Key | CYKLQIOPIMZZBZ-UHFFFAOYSA-N |
| Molecular Formula | C29H40Br2 |
Disodium 2,6-Naphthalenedisulfonate 90.0+%, TCI America™
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CAS: 1655-45-4 Molecular Formula: C10H6Na2O6S2 Molecular Weight (g/mol): 332.252 MDL Number: MFCD00004092 InChI Key: WZZLWPIYWZEJOX-UHFFFAOYSA-L Synonym: 2,6-naphthalenedisulfonic acid disodium salt,sodium naphthalene-2,6-disulfonate,disodium 2,6-naphthalenedisulfonate,disodium naphthalene-2,6-disulphonate,2,6-naphthalenedisulfonic acid, disodium salt,ebert-merz beta-acid disodium salt,disodium naphthalene-2,6-disulfonate,dipotassium 2,6-naphthalenedisulfonate,acmc-209dsq,ksc910s4f PubChem CID: 3014027 IUPAC Name: disodium;naphthalene-2,6-disulfonate SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-].[Na+].[Na+]
| PubChem CID | 3014027 |
|---|---|
| CAS | 1655-45-4 |
| Molecular Weight (g/mol) | 332.252 |
| MDL Number | MFCD00004092 |
| SMILES | C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-].[Na+].[Na+] |
| Synonym | 2,6-naphthalenedisulfonic acid disodium salt,sodium naphthalene-2,6-disulfonate,disodium 2,6-naphthalenedisulfonate,disodium naphthalene-2,6-disulphonate,2,6-naphthalenedisulfonic acid, disodium salt,ebert-merz beta-acid disodium salt,disodium naphthalene-2,6-disulfonate,dipotassium 2,6-naphthalenedisulfonate,acmc-209dsq,ksc910s4f |
| IUPAC Name | disodium;naphthalene-2,6-disulfonate |
| InChI Key | WZZLWPIYWZEJOX-UHFFFAOYSA-L |
| Molecular Formula | C10H6Na2O6S2 |
Methyl 5-Methyl-2-nitrobenzoate 98.0+%, TCI America™
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CAS: 20587-30-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00157275 InChI Key: KFOICDVZQKFCGM-UHFFFAOYSA-N Synonym: 5-Methyl-2-nitrobenzoic Acid Methyl Ester, Methyl 6-Nitro-m-toluate, 6-Nitro-m-toluic Acid Methyl Ester PubChem CID: 3314122 IUPAC Name: methyl 5-methyl-2-nitrobenzoate SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC
| PubChem CID | 3314122 |
|---|---|
| CAS | 20587-30-8 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD00157275 |
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC |
| Synonym | 5-Methyl-2-nitrobenzoic Acid Methyl Ester, Methyl 6-Nitro-m-toluate, 6-Nitro-m-toluic Acid Methyl Ester |
| IUPAC Name | methyl 5-methyl-2-nitrobenzoate |
| InChI Key | KFOICDVZQKFCGM-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
H-Resorcinol 97.0+%, TCI America™
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CAS: 3627-01-8 Molecular Formula: C16H12N2O9S2 Molecular Weight (g/mol): 440.40 MDL Number: MFCD00059024 InChI Key: CYJIGBWVVZHXRF-SFQUDFHCSA-N Synonym: 1-(2,4-Dihydroxy-1-phenylazo)-8-hydroxynaphthalene-3,6-disulfonic Acid Disodium Salt PubChem CID: 9575828 IUPAC Name: 4-hydroxy-5-[(2E)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]naphthalene-2,7-disulfonic acid SMILES: C1=CC(=NNC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)C(=CC1=O)O
| PubChem CID | 9575828 |
|---|---|
| CAS | 3627-01-8 |
| Molecular Weight (g/mol) | 440.40 |
| MDL Number | MFCD00059024 |
| SMILES | C1=CC(=NNC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)C(=CC1=O)O |
| Synonym | 1-(2,4-Dihydroxy-1-phenylazo)-8-hydroxynaphthalene-3,6-disulfonic Acid Disodium Salt |
| IUPAC Name | 4-hydroxy-5-[(2E)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]naphthalene-2,7-disulfonic acid |
| InChI Key | CYJIGBWVVZHXRF-SFQUDFHCSA-N |
| Molecular Formula | C16H12N2O9S2 |
Dimethyl 2,7-Naphthalenedicarboxylate 98.0+%, TCI America™
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CAS: 2549-47-5 Molecular Formula: C14H12O4 Molecular Weight (g/mol): 244.246 MDL Number: MFCD03427560 InChI Key: WYIBAMPRACRCOM-UHFFFAOYSA-N Synonym: 2,7-Naphthalenedicarboxylic Acid Dimethyl Ester PubChem CID: 9881315 IUPAC Name: dimethyl naphthalene-2,7-dicarboxylate SMILES: COC(=O)C1=CC2=C(C=C1)C=CC(=C2)C(=O)OC
| PubChem CID | 9881315 |
|---|---|
| CAS | 2549-47-5 |
| Molecular Weight (g/mol) | 244.246 |
| MDL Number | MFCD03427560 |
| SMILES | COC(=O)C1=CC2=C(C=C1)C=CC(=C2)C(=O)OC |
| Synonym | 2,7-Naphthalenedicarboxylic Acid Dimethyl Ester |
| IUPAC Name | dimethyl naphthalene-2,7-dicarboxylate |
| InChI Key | WYIBAMPRACRCOM-UHFFFAOYSA-N |
| Molecular Formula | C14H12O4 |
4-(3-Hydroxyphenoxy)benzoic Acid 99.0+%, TCI America™
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CAS: 56183-35-8 Molecular Formula: C13H10O4 Molecular Weight (g/mol): 230.219 MDL Number: MFCD00059644 InChI Key: DEDKCEDXZJIDKZ-UHFFFAOYSA-N PubChem CID: 615389 IUPAC Name: 4-(3-hydroxyphenoxy)benzoic acid SMILES: C1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)O)O
| PubChem CID | 615389 |
|---|---|
| CAS | 56183-35-8 |
| Molecular Weight (g/mol) | 230.219 |
| MDL Number | MFCD00059644 |
| SMILES | C1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)O)O |
| IUPAC Name | 4-(3-hydroxyphenoxy)benzoic acid |
| InChI Key | DEDKCEDXZJIDKZ-UHFFFAOYSA-N |
| Molecular Formula | C13H10O4 |
4-Fluoro-N-methylbenzylamine 97.0+%, TCI America™
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CAS: 405-66-3 Molecular Formula: C8H10FN Molecular Weight (g/mol): 139.173 MDL Number: MFCD03839848 InChI Key: SZJIQLSCDIEJFC-UHFFFAOYSA-N Synonym: n-methyl-4-fluorobenzylamine,4-fluoro-n-methylbenzylamine,4-fluoro-benzyl-methyl-amine,1-4-fluorophenyl-n-methylmethanamine,n-4-fluorobenzyl-n-methylamine,4-fluoro-n-methyl benzylamine,4-fluorophenyl methyl methyl amine,benzenemethanamine, 4-fluoro-n-methyl,1-4-fluorophenyl-n-methyl-methanamine,acmc-1aek3 PubChem CID: 736860 IUPAC Name: 1-(4-fluorophenyl)-N-methylmethanamine SMILES: CNCC1=CC=C(C=C1)F
| PubChem CID | 736860 |
|---|---|
| CAS | 405-66-3 |
| Molecular Weight (g/mol) | 139.173 |
| MDL Number | MFCD03839848 |
| SMILES | CNCC1=CC=C(C=C1)F |
| Synonym | n-methyl-4-fluorobenzylamine,4-fluoro-n-methylbenzylamine,4-fluoro-benzyl-methyl-amine,1-4-fluorophenyl-n-methylmethanamine,n-4-fluorobenzyl-n-methylamine,4-fluoro-n-methyl benzylamine,4-fluorophenyl methyl methyl amine,benzenemethanamine, 4-fluoro-n-methyl,1-4-fluorophenyl-n-methyl-methanamine,acmc-1aek3 |
| IUPAC Name | 1-(4-fluorophenyl)-N-methylmethanamine |
| InChI Key | SZJIQLSCDIEJFC-UHFFFAOYSA-N |
| Molecular Formula | C8H10FN |
3-(Difluoromethoxy)aniline 98.0+%, TCI America™
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CAS: 22236-08-4 Molecular Formula: C7H7F2NO Molecular Weight (g/mol): 159.14 MDL Number: MFCD00236221 InChI Key: RSOFZRXRIPVBBM-UHFFFAOYSA-N Synonym: 3-difluoromethoxy aniline,m-difluoromethoxyaniline,benzenamine, 3-difluoromethoxy,3-amino-alpha,alpha-difluoroanisole,3-difluoromethoxy phenylamine,pubchem8466,acmc-1ckmq,a,a-difluoro-m-anisidine,3-difluoromethoxyphenylamine PubChem CID: 2774110 IUPAC Name: 3-(difluoromethoxy)aniline SMILES: NC1=CC(OC(F)F)=CC=C1
| PubChem CID | 2774110 |
|---|---|
| CAS | 22236-08-4 |
| Molecular Weight (g/mol) | 159.14 |
| MDL Number | MFCD00236221 |
| SMILES | NC1=CC(OC(F)F)=CC=C1 |
| Synonym | 3-difluoromethoxy aniline,m-difluoromethoxyaniline,benzenamine, 3-difluoromethoxy,3-amino-alpha,alpha-difluoroanisole,3-difluoromethoxy phenylamine,pubchem8466,acmc-1ckmq,a,a-difluoro-m-anisidine,3-difluoromethoxyphenylamine |
| IUPAC Name | 3-(difluoromethoxy)aniline |
| InChI Key | RSOFZRXRIPVBBM-UHFFFAOYSA-N |
| Molecular Formula | C7H7F2NO |
3-Methylcatechol 99.0+%, TCI America™
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CAS: 488-17-5 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00016435 InChI Key: PGSWEKYNAOWQDF-UHFFFAOYSA-N Synonym: 3-methylcatechol,2,3-dihydroxytoluene,3-methylpyrocatechol,1,2-benzenediol, 3-methyl,2,3-toluenediol,dihydroxytoluene,pyrocatechol, 3-methyl,catechol, 3-methyl,1,2-dihydroxy-3-methylbenzene,3-methyl-1,2-benzenediol PubChem CID: 340 ChEBI: CHEBI:18404 IUPAC Name: 3-methylbenzene-1,2-diol SMILES: CC1=C(C(=CC=C1)O)O
| PubChem CID | 340 |
|---|---|
| CAS | 488-17-5 |
| Molecular Weight (g/mol) | 124.139 |
| ChEBI | CHEBI:18404 |
| MDL Number | MFCD00016435 |
| SMILES | CC1=C(C(=CC=C1)O)O |
| Synonym | 3-methylcatechol,2,3-dihydroxytoluene,3-methylpyrocatechol,1,2-benzenediol, 3-methyl,2,3-toluenediol,dihydroxytoluene,pyrocatechol, 3-methyl,catechol, 3-methyl,1,2-dihydroxy-3-methylbenzene,3-methyl-1,2-benzenediol |
| IUPAC Name | 3-methylbenzene-1,2-diol |
| InChI Key | PGSWEKYNAOWQDF-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
3,5-Dimethoxybenzoic Acid 98.0+%, TCI America™
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CAS: 1132-21-4 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002502 InChI Key: IWPZKOJSYQZABD-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-dimethoxy,unii-38my78eckk,3,5-dimethoxy benzoic acid,38my78eckk,pubchem3121,3,5-dimethoxybenzoicacid,acmc-1c4zl,3,5-dimethoxy-benzoic acid,ksc176m0p,benzoicacid, 3,5-dimethoxy PubChem CID: 14332 IUPAC Name: 3,5-dimethoxybenzoic acid SMILES: COC1=CC(=CC(OC)=C1)C(O)=O
| PubChem CID | 14332 |
|---|---|
| CAS | 1132-21-4 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00002502 |
| SMILES | COC1=CC(=CC(OC)=C1)C(O)=O |
| Synonym | benzoic acid, 3,5-dimethoxy,unii-38my78eckk,3,5-dimethoxy benzoic acid,38my78eckk,pubchem3121,3,5-dimethoxybenzoicacid,acmc-1c4zl,3,5-dimethoxy-benzoic acid,ksc176m0p,benzoicacid, 3,5-dimethoxy |
| IUPAC Name | 3,5-dimethoxybenzoic acid |
| InChI Key | IWPZKOJSYQZABD-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
4-Iodobenzylamine 97.0+%, TCI America™
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CAS: 39959-59-6 Molecular Formula: C7H8IN Molecular Weight (g/mol): 233.052 MDL Number: MFCD00047933 InChI Key: KCGZGJOBKAXVSU-UHFFFAOYSA-N Synonym: 4-iodophenyl methanamine,4-iodobenzylamine,4-iodo-benzylamine,4-iodobenzyl amine,benzenemethanamine, 4-iodo,1-4-iodophenyl methanamine,4-iodophenyl methylamine,4-iodobenzylamine, hydrochloride salt,acmc-20a5sy,p-iodobenzylamine PubChem CID: 2737533 IUPAC Name: (4-iodophenyl)methanamine SMILES: C1=CC(=CC=C1CN)I
| PubChem CID | 2737533 |
|---|---|
| CAS | 39959-59-6 |
| Molecular Weight (g/mol) | 233.052 |
| MDL Number | MFCD00047933 |
| SMILES | C1=CC(=CC=C1CN)I |
| Synonym | 4-iodophenyl methanamine,4-iodobenzylamine,4-iodo-benzylamine,4-iodobenzyl amine,benzenemethanamine, 4-iodo,1-4-iodophenyl methanamine,4-iodophenyl methylamine,4-iodobenzylamine, hydrochloride salt,acmc-20a5sy,p-iodobenzylamine |
| IUPAC Name | (4-iodophenyl)methanamine |
| InChI Key | KCGZGJOBKAXVSU-UHFFFAOYSA-N |
| Molecular Formula | C7H8IN |
2,4-Difluorobenzylamine 98.0+%, TCI America™
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CAS: 72235-52-0 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.137 MDL Number: MFCD00010142 InChI Key: QDZZDVQGBKTLHV-UHFFFAOYSA-N Synonym: 2,4-difluorobenzylamine,2,4-difluorophenyl methanamine,2,4-difluorobenzyl amine,benzenemethanamine, 2,4-difluoro,1-2,4-difluorophenyl methanamine,2,4-difluorophenyl methylamine,n-difluorobenzylamine,pubchem4399,2,4-difluorbenzylamine,acmc-209oma PubChem CID: 2733244 IUPAC Name: (2,4-difluorophenyl)methanamine SMILES: C1=CC(=C(C=C1F)F)CN
| PubChem CID | 2733244 |
|---|---|
| CAS | 72235-52-0 |
| Molecular Weight (g/mol) | 143.137 |
| MDL Number | MFCD00010142 |
| SMILES | C1=CC(=C(C=C1F)F)CN |
| Synonym | 2,4-difluorobenzylamine,2,4-difluorophenyl methanamine,2,4-difluorobenzyl amine,benzenemethanamine, 2,4-difluoro,1-2,4-difluorophenyl methanamine,2,4-difluorophenyl methylamine,n-difluorobenzylamine,pubchem4399,2,4-difluorbenzylamine,acmc-209oma |
| IUPAC Name | (2,4-difluorophenyl)methanamine |
| InChI Key | QDZZDVQGBKTLHV-UHFFFAOYSA-N |
| Molecular Formula | C7H7F2N |
3,4-Dichlorobenzyl Bromide 98.0+%, TCI America™
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CAS: 18880-04-1 Molecular Formula: C7H5BrCl2 Molecular Weight (g/mol): 239.921 MDL Number: MFCD00041363 InChI Key: XLWSBDFQAJXCQX-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763 PubChem CID: 639726 IUPAC Name: 4-(bromomethyl)-1,2-dichlorobenzene SMILES: C1=CC(=C(C=C1CBr)Cl)Cl
| PubChem CID | 639726 |
|---|---|
| CAS | 18880-04-1 |
| Molecular Weight (g/mol) | 239.921 |
| MDL Number | MFCD00041363 |
| SMILES | C1=CC(=C(C=C1CBr)Cl)Cl |
| Synonym | 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763 |
| IUPAC Name | 4-(bromomethyl)-1,2-dichlorobenzene |
| InChI Key | XLWSBDFQAJXCQX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrCl2 |
4-Methoxy-2-methyldiphenylamine 97.0+%, TCI America™
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CAS: 41317-15-1 Molecular Formula: C14H15NO Molecular Weight (g/mol): 213.28 MDL Number: MFCD00272619 InChI Key: CYMPUOGZUXAIMY-UHFFFAOYSA-N PubChem CID: 162461 IUPAC Name: 4-methoxy-2-methyl-N-phenylaniline SMILES: CC1=C(C=CC(=C1)OC)NC2=CC=CC=C2
| PubChem CID | 162461 |
|---|---|
| CAS | 41317-15-1 |
| Molecular Weight (g/mol) | 213.28 |
| MDL Number | MFCD00272619 |
| SMILES | CC1=C(C=CC(=C1)OC)NC2=CC=CC=C2 |
| IUPAC Name | 4-methoxy-2-methyl-N-phenylaniline |
| InChI Key | CYMPUOGZUXAIMY-UHFFFAOYSA-N |
| Molecular Formula | C14H15NO |
4,4'-Dichlorodiphenyl Sulfone 98.0+%, TCI America™
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CAS: 80-07-9 Molecular Formula: C12H8Cl2O2S Molecular Weight (g/mol): 287.15 MDL Number: MFCD00000619 InChI Key: GPAPPPVRLPGFEQ-UHFFFAOYSA-N Synonym: 4,4'-dichlorodiphenyl sulfone,bis 4-chlorophenyl sulfone,p,p'-dichlorodiphenyl sulfone,sulfone, bis p-chlorophenyl,4-chlorophenyl sulfone,1,1'-sulfonylbis 4-chlorobenzene,bis p-chlorophenyl sulfone,benzene, 1,1'-sulfonylbis 4-chloro,p-chlorophenyl sulfone,4,4'-dichlorodiphenylsulfone PubChem CID: 6625 IUPAC Name: 1-chloro-4-(4-chlorobenzenesulfonyl)benzene SMILES: ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 6625 |
|---|---|
| CAS | 80-07-9 |
| Molecular Weight (g/mol) | 287.15 |
| MDL Number | MFCD00000619 |
| SMILES | ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 4,4'-dichlorodiphenyl sulfone,bis 4-chlorophenyl sulfone,p,p'-dichlorodiphenyl sulfone,sulfone, bis p-chlorophenyl,4-chlorophenyl sulfone,1,1'-sulfonylbis 4-chlorobenzene,bis p-chlorophenyl sulfone,benzene, 1,1'-sulfonylbis 4-chloro,p-chlorophenyl sulfone,4,4'-dichlorodiphenylsulfone |
| IUPAC Name | 1-chloro-4-(4-chlorobenzenesulfonyl)benzene |
| InChI Key | GPAPPPVRLPGFEQ-UHFFFAOYSA-N |
| Molecular Formula | C12H8Cl2O2S |