Benzenoids
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4-Ethoxycarbonyl-2-nitrophenylboronic Acid (contains varying amounts of Anhydride) 98.0+%, TCI America™
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CAS: 5785-70-6 Molecular Formula: C9H10BNO6 Molecular Weight (g/mol): 238.99 MDL Number: MFCD02179460 InChI Key: GCDAYMSNTGTFDC-UHFFFAOYSA-N Synonym: 4-ethoxycarbonyl-2-nitrophenyl boronic acid,ethyl 4-borono-3-nitrabenzoate,ethyl 4-borono-3-nitrobenzoate,4-ethoxycarbonyl-2-nitrophenylboronic acid,4-ethoxycarbonyl-2-nitrobenzeneboronic acid,4-ethoxycarbonyl-2-nitrophenylboronicacid,acmc-1alqp,chembl91674,benzoic acid,4-borono-3-nitro-, 1-ethyl ester PubChem CID: 2773403 IUPAC Name: (4-ethoxycarbonyl-2-nitrophenyl)boronic acid SMILES: B(C1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-])(O)O
| PubChem CID | 2773403 |
|---|---|
| CAS | 5785-70-6 |
| Molecular Weight (g/mol) | 238.99 |
| MDL Number | MFCD02179460 |
| SMILES | B(C1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-])(O)O |
| Synonym | 4-ethoxycarbonyl-2-nitrophenyl boronic acid,ethyl 4-borono-3-nitrabenzoate,ethyl 4-borono-3-nitrobenzoate,4-ethoxycarbonyl-2-nitrophenylboronic acid,4-ethoxycarbonyl-2-nitrobenzeneboronic acid,4-ethoxycarbonyl-2-nitrophenylboronicacid,acmc-1alqp,chembl91674,benzoic acid,4-borono-3-nitro-, 1-ethyl ester |
| IUPAC Name | (4-ethoxycarbonyl-2-nitrophenyl)boronic acid |
| InChI Key | GCDAYMSNTGTFDC-UHFFFAOYSA-N |
| Molecular Formula | C9H10BNO6 |
2,4,5-Trifluoro-1,3-phenylenediamine 98.0+%, TCI America™
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CAS: 321182-37-0 Molecular Formula: C6H5F3N2 Molecular Weight (g/mol): 162.115 MDL Number: MFCD04114298 InChI Key: ONVSXVVJFJJZQX-UHFFFAOYSA-N Synonym: 1,3-Diamino-2,4,5-trifluorobenzene PubChem CID: 15531223 IUPAC Name: 2,4,5-trifluorobenzene-1,3-diamine SMILES: C1=C(C(=C(C(=C1F)F)N)F)N
| PubChem CID | 15531223 |
|---|---|
| CAS | 321182-37-0 |
| Molecular Weight (g/mol) | 162.115 |
| MDL Number | MFCD04114298 |
| SMILES | C1=C(C(=C(C(=C1F)F)N)F)N |
| Synonym | 1,3-Diamino-2,4,5-trifluorobenzene |
| IUPAC Name | 2,4,5-trifluorobenzene-1,3-diamine |
| InChI Key | ONVSXVVJFJJZQX-UHFFFAOYSA-N |
| Molecular Formula | C6H5F3N2 |
5-Bromo-2-chlorobenzyl Alcohol 98.0+%, TCI America™
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CAS: 149965-40-2 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.48 MDL Number: MFCD02683548 InChI Key: SCHBQPIVMBDOQF-UHFFFAOYSA-N PubChem CID: 5074766 IUPAC Name: (5-bromo-2-chlorophenyl)methanol SMILES: OCC1=C(Cl)C=CC(Br)=C1
| PubChem CID | 5074766 |
|---|---|
| CAS | 149965-40-2 |
| Molecular Weight (g/mol) | 221.48 |
| MDL Number | MFCD02683548 |
| SMILES | OCC1=C(Cl)C=CC(Br)=C1 |
| IUPAC Name | (5-bromo-2-chlorophenyl)methanol |
| InChI Key | SCHBQPIVMBDOQF-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO |
2-Bromo-4,5-difluorophenol 98.0+%, TCI America™
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CAS: 166281-37-4 Molecular Formula: C6H3BrF2O Molecular Weight (g/mol): 208.99 MDL Number: MFCD00070751 InChI Key: FCYZOOHWUOEAOX-UHFFFAOYSA-N Synonym: 2-bromo-4,5-diflouo phenol,2-bromo-4,5-difluoro-phenol,phenol, 2-bromo-4,5-difluoro,pubchem2835,acmc-1bxcg,2-bromo-4,5-difluoro,intermediates-zcf02247,2-bromo-4,5-difluorophen,ksc494o4b,2-bromo-4,5-difluorophenol PubChem CID: 2736288 IUPAC Name: 2-bromo-4,5-difluorophenol SMILES: OC1=CC(F)=C(F)C=C1Br
| PubChem CID | 2736288 |
|---|---|
| CAS | 166281-37-4 |
| Molecular Weight (g/mol) | 208.99 |
| MDL Number | MFCD00070751 |
| SMILES | OC1=CC(F)=C(F)C=C1Br |
| Synonym | 2-bromo-4,5-diflouo phenol,2-bromo-4,5-difluoro-phenol,phenol, 2-bromo-4,5-difluoro,pubchem2835,acmc-1bxcg,2-bromo-4,5-difluoro,intermediates-zcf02247,2-bromo-4,5-difluorophen,ksc494o4b,2-bromo-4,5-difluorophenol |
| IUPAC Name | 2-bromo-4,5-difluorophenol |
| InChI Key | FCYZOOHWUOEAOX-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2O |
Dimethylsulfonazo III, TCI America™
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CAS: 14979-11-4 Molecular Formula: C24H20N4O14S4 Molecular Weight (g/mol): 716.678 MDL Number: MFCD00151118 InChI Key: CAWGMVYQLWPWHZ-GPAWKIAZSA-N Synonym: 2,7-Bis[(4-methyl-2-sulfophenyl)azo]-1,8-dihydroxynaphthalene-3,6-disulfonic Acid, 2,7-Bis(2-sulfo-p-tolylazo)-1,8-dihydroxy-3,6-naphthalenedisulfonic Acid PubChem CID: 5743575 IUPAC Name: (3Z,6Z)-3,6-bis[(4-methyl-2-sulfophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonic acid SMILES: CC1=CC(=C(C=C1)NN=C2C(=CC3=C(C2=O)C(=O)C(=NNC4=C(C=C(C=C4)C)S(=O)(=O)O)C(=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
| PubChem CID | 5743575 |
|---|---|
| CAS | 14979-11-4 |
| Molecular Weight (g/mol) | 716.678 |
| MDL Number | MFCD00151118 |
| SMILES | CC1=CC(=C(C=C1)NN=C2C(=CC3=C(C2=O)C(=O)C(=NNC4=C(C=C(C=C4)C)S(=O)(=O)O)C(=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| Synonym | 2,7-Bis[(4-methyl-2-sulfophenyl)azo]-1,8-dihydroxynaphthalene-3,6-disulfonic Acid, 2,7-Bis(2-sulfo-p-tolylazo)-1,8-dihydroxy-3,6-naphthalenedisulfonic Acid |
| IUPAC Name | (3Z,6Z)-3,6-bis[(4-methyl-2-sulfophenyl)hydrazinylidene]-4,5-dioxonaphthalene-2,7-disulfonic acid |
| InChI Key | CAWGMVYQLWPWHZ-GPAWKIAZSA-N |
| Molecular Formula | C24H20N4O14S4 |
4-Chloro-2,6-dibromoaniline 98.0+%, TCI America™
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CAS: 874-17-9 Molecular Formula: C6H4Br2ClN Molecular Weight (g/mol): 285.363 MDL Number: MFCD00051750 InChI Key: XEYLQXUJSOJWJV-UHFFFAOYSA-N Synonym: 4-chloro-2,6-dibromoaniline,2,6-dibromo-4-chloro-phenylamine,4-chloro-4,6-dibromoaniline,2,6-dibromo-4-chlorophenylamine,pubchem3632,acmc-209qkf,2,6-dibromo-4-chloro-aniline,zerenex e/9070016,labotest-bb lt01147813,labotest-bb lt03332130 PubChem CID: 625286 IUPAC Name: 2,6-dibromo-4-chloroaniline SMILES: C1=C(C=C(C(=C1Br)N)Br)Cl
| PubChem CID | 625286 |
|---|---|
| CAS | 874-17-9 |
| Molecular Weight (g/mol) | 285.363 |
| MDL Number | MFCD00051750 |
| SMILES | C1=C(C=C(C(=C1Br)N)Br)Cl |
| Synonym | 4-chloro-2,6-dibromoaniline,2,6-dibromo-4-chloro-phenylamine,4-chloro-4,6-dibromoaniline,2,6-dibromo-4-chlorophenylamine,pubchem3632,acmc-209qkf,2,6-dibromo-4-chloro-aniline,zerenex e/9070016,labotest-bb lt01147813,labotest-bb lt03332130 |
| IUPAC Name | 2,6-dibromo-4-chloroaniline |
| InChI Key | XEYLQXUJSOJWJV-UHFFFAOYSA-N |
| Molecular Formula | C6H4Br2ClN |
2-Bromo-4-chloroaniline 98.0+%, TCI America™
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CAS: 873-38-1 Molecular Formula: C6H5BrClN Molecular Weight (g/mol): 206.467 InChI Key: SYTBIFURTZACKR-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-4-chloro,1-amino-2-bromo-4-chlorobenzene,2-bromo-4-chloro-phenylamine,2-bromo-4-chloro aniline,2-bromo-4-chlorophenylamine,pubchem3576,acmc-1bkdm,2-bromo-4-chloro-aniline,4-chloro-2-bromoaniline,2-bromo-4-chloroaniline PubChem CID: 70110 IUPAC Name: 2-bromo-4-chloroaniline SMILES: C1=CC(=C(C=C1Cl)Br)N
| PubChem CID | 70110 |
|---|---|
| CAS | 873-38-1 |
| Molecular Weight (g/mol) | 206.467 |
| SMILES | C1=CC(=C(C=C1Cl)Br)N |
| Synonym | benzenamine, 2-bromo-4-chloro,1-amino-2-bromo-4-chlorobenzene,2-bromo-4-chloro-phenylamine,2-bromo-4-chloro aniline,2-bromo-4-chlorophenylamine,pubchem3576,acmc-1bkdm,2-bromo-4-chloro-aniline,4-chloro-2-bromoaniline,2-bromo-4-chloroaniline |
| IUPAC Name | 2-bromo-4-chloroaniline |
| InChI Key | SYTBIFURTZACKR-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrClN |
2-Bromotriphenylene 98.0+%, TCI America™
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CAS: 19111-87-6 Molecular Formula: C18H11Br Molecular Weight (g/mol): 307.19 MDL Number: MFCD16659043 InChI Key: GEDOYYDMCZUHNW-UHFFFAOYSA-N PubChem CID: 18381174 IUPAC Name: 2-bromotriphenylene SMILES: BrC1=CC=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1
| PubChem CID | 18381174 |
|---|---|
| CAS | 19111-87-6 |
| Molecular Weight (g/mol) | 307.19 |
| MDL Number | MFCD16659043 |
| SMILES | BrC1=CC=C2C3=CC=CC=C3C3=CC=CC=C3C2=C1 |
| IUPAC Name | 2-bromotriphenylene |
| InChI Key | GEDOYYDMCZUHNW-UHFFFAOYSA-N |
| Molecular Formula | C18H11Br |
3-Amino-2-naphthoic Acid 97.0+%, TCI America™
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CAS: 5959-52-4 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.198 MDL Number: MFCD00004115 InChI Key: XFXOLBNQYFRSLQ-UHFFFAOYSA-N Synonym: 3-amino-2-naphthoic acid,2-amino-3-naphthoic acid,3-aminoisonaphthoic acid,2-naphthalenecarboxylic acid, 3-amino,2-amino-3-carboxynaphthalene,2-naphthoic acid, 3-amino,3-amino-2-naphthalenecarboxylic acid,unii-iv5z0phl5d,iv5z0phl5d,3-amino-naphthalene-2-carboxylic acid PubChem CID: 22244 IUPAC Name: 3-aminonaphthalene-2-carboxylic acid SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)O)N
| PubChem CID | 22244 |
|---|---|
| CAS | 5959-52-4 |
| Molecular Weight (g/mol) | 187.198 |
| MDL Number | MFCD00004115 |
| SMILES | C1=CC=C2C=C(C(=CC2=C1)C(=O)O)N |
| Synonym | 3-amino-2-naphthoic acid,2-amino-3-naphthoic acid,3-aminoisonaphthoic acid,2-naphthalenecarboxylic acid, 3-amino,2-amino-3-carboxynaphthalene,2-naphthoic acid, 3-amino,3-amino-2-naphthalenecarboxylic acid,unii-iv5z0phl5d,iv5z0phl5d,3-amino-naphthalene-2-carboxylic acid |
| IUPAC Name | 3-aminonaphthalene-2-carboxylic acid |
| InChI Key | XFXOLBNQYFRSLQ-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO2 |
2-(3-Bromophenyl)naphthalene 95.0+%, TCI America™
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CAS: 667940-23-0 Molecular Formula: C16H11Br Molecular Weight (g/mol): 283.17 MDL Number: MFCD16658911 InChI Key: FWPXWVYUNHYGPE-UHFFFAOYSA-N Synonym: 2-3-bromophenyl naphthalene,naphthalene, 2-3-bromophenyl,2 3-bromophenyl naphthalene,ksc279g1j PubChem CID: 23080773 IUPAC Name: 2-(3-bromophenyl)naphthalene SMILES: BrC1=CC=CC(=C1)C1=CC2=CC=CC=C2C=C1
| PubChem CID | 23080773 |
|---|---|
| CAS | 667940-23-0 |
| Molecular Weight (g/mol) | 283.17 |
| MDL Number | MFCD16658911 |
| SMILES | BrC1=CC=CC(=C1)C1=CC2=CC=CC=C2C=C1 |
| Synonym | 2-3-bromophenyl naphthalene,naphthalene, 2-3-bromophenyl,2 3-bromophenyl naphthalene,ksc279g1j |
| IUPAC Name | 2-(3-bromophenyl)naphthalene |
| InChI Key | FWPXWVYUNHYGPE-UHFFFAOYSA-N |
| Molecular Formula | C16H11Br |
4'-Hydroxyacetanilide 98.0+%, TCI America™
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CAS: 103-90-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00002328 InChI Key: RZVAJINKPMORJF-UHFFFAOYSA-N Synonym: acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol PubChem CID: 1983 ChEBI: CHEBI:46195 IUPAC Name: N-(4-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC=C(O)C=C1
| PubChem CID | 1983 |
|---|---|
| CAS | 103-90-2 |
| Molecular Weight (g/mol) | 151.17 |
| ChEBI | CHEBI:46195 |
| MDL Number | MFCD00002328 |
| SMILES | CC(=O)NC1=CC=C(O)C=C1 |
| Synonym | acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol |
| IUPAC Name | N-(4-hydroxyphenyl)acetamide |
| InChI Key | RZVAJINKPMORJF-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
2,4,6-Trimethylbenzyl Alcohol 98.0+%, TCI America™
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CAS: 4170-90-5 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00014422 InChI Key: LODDFDHPSIYCTK-UHFFFAOYSA-N Synonym: 2,4,6-trimethylbenzyl alcohol,mesitylmethanol,mesitylcarbinol,2,4,6-trimethylphenyl methanol,unii-rev3kvt84n,benzenemethanol, 2,4,6-trimethyl,2,4,6-trimethylbenzylic alcohol,benzyl alcohol, 2,4,6-trimethyl,rev3kvt84n,2,4,6-trimethylphenyl methan-1-ol PubChem CID: 20139 IUPAC Name: (2,4,6-trimethylphenyl)methanol SMILES: CC1=CC(=C(C(=C1)C)CO)C
| PubChem CID | 20139 |
|---|---|
| CAS | 4170-90-5 |
| Molecular Weight (g/mol) | 150.221 |
| MDL Number | MFCD00014422 |
| SMILES | CC1=CC(=C(C(=C1)C)CO)C |
| Synonym | 2,4,6-trimethylbenzyl alcohol,mesitylmethanol,mesitylcarbinol,2,4,6-trimethylphenyl methanol,unii-rev3kvt84n,benzenemethanol, 2,4,6-trimethyl,2,4,6-trimethylbenzylic alcohol,benzyl alcohol, 2,4,6-trimethyl,rev3kvt84n,2,4,6-trimethylphenyl methan-1-ol |
| IUPAC Name | (2,4,6-trimethylphenyl)methanol |
| InChI Key | LODDFDHPSIYCTK-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
Triphenyl Phosphite 97.0+%, TCI America™
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2,4,6-Trichloroanisole 98.0+%, TCI America™
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CAS: 87-40-1 Molecular Formula: C7H5Cl3O Molecular Weight (g/mol): 211.466 MDL Number: MFCD00000588 InChI Key: WCVOGSZTONGSQY-UHFFFAOYSA-N PubChem CID: 6884 ChEBI: CHEBI:19333 IUPAC Name: 1,3,5-trichloro-2-methoxybenzene SMILES: COC1=C(C=C(C=C1Cl)Cl)Cl
| PubChem CID | 6884 |
|---|---|
| CAS | 87-40-1 |
| Molecular Weight (g/mol) | 211.466 |
| ChEBI | CHEBI:19333 |
| MDL Number | MFCD00000588 |
| SMILES | COC1=C(C=C(C=C1Cl)Cl)Cl |
| IUPAC Name | 1,3,5-trichloro-2-methoxybenzene |
| InChI Key | WCVOGSZTONGSQY-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl3O |
Methyl (Triphenylphosphoranylidene)acetate 98.0+%, TCI America™
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CAS: 2605-67-6 Molecular Formula: C21H19O2P Molecular Weight (g/mol): 334.36 MDL Number: MFCD00008455 InChI Key: NTNUDYROPUKXNA-UHFFFAOYSA-N Synonym: methyl triphenylphosphoranylidene acetate,carbomethoxymethylene triphenylphosphorane,methyl 2-triphenylphosphoranylidene acetate,acetic acid, triphenylphosphoranylidene-, methyl ester,methyl triphenylphosphoranylideneacetate,triphenylphosphoranylidene acetic acid methyl ester,triphenyl carbomethoxymethylene phosphorane,methoxycarbonylmethylene triphenylphosphorane,acetic acid, 2-triphenylphosphoranylidene-, methyl ester PubChem CID: 17453 IUPAC Name: methyl 2-(triphenyl-λ⁵-phosphanylidene)acetate SMILES: COC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 17453 |
|---|---|
| CAS | 2605-67-6 |
| Molecular Weight (g/mol) | 334.36 |
| MDL Number | MFCD00008455 |
| SMILES | COC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | methyl triphenylphosphoranylidene acetate,carbomethoxymethylene triphenylphosphorane,methyl 2-triphenylphosphoranylidene acetate,acetic acid, triphenylphosphoranylidene-, methyl ester,methyl triphenylphosphoranylideneacetate,triphenylphosphoranylidene acetic acid methyl ester,triphenyl carbomethoxymethylene phosphorane,methoxycarbonylmethylene triphenylphosphorane,acetic acid, 2-triphenylphosphoranylidene-, methyl ester |
| IUPAC Name | methyl 2-(triphenyl-λ⁵-phosphanylidene)acetate |
| InChI Key | NTNUDYROPUKXNA-UHFFFAOYSA-N |
| Molecular Formula | C21H19O2P |