Benzenoids
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1-Hydroxy-4-nitroanthraquinone 97.0+%, TCI America™
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CAS: 81-65-2 Molecular Formula: C14H7NO5 Molecular Weight (g/mol): 269.212 MDL Number: MFCD00142642 InChI Key: XXUOKOYLVBHBCG-UHFFFAOYSA-N PubChem CID: 3490678 IUPAC Name: 1-hydroxy-4-nitroanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-]
| PubChem CID | 3490678 |
|---|---|
| CAS | 81-65-2 |
| Molecular Weight (g/mol) | 269.212 |
| MDL Number | MFCD00142642 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-] |
| IUPAC Name | 1-hydroxy-4-nitroanthracene-9,10-dione |
| InChI Key | XXUOKOYLVBHBCG-UHFFFAOYSA-N |
| Molecular Formula | C14H7NO5 |
2-Aminodiphenylmethane 98.0+%, TCI America™
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CAS: 28059-64-5 Molecular Formula: C13H13N Molecular Weight (g/mol): 183.25 MDL Number: MFCD00007750 InChI Key: DWOBGCPUQNFAFB-UHFFFAOYSA-N Synonym: 2-Benzylaniline PubChem CID: 119805 IUPAC Name: 2-benzylaniline SMILES: NC1=CC=CC=C1CC1=CC=CC=C1
| PubChem CID | 119805 |
|---|---|
| CAS | 28059-64-5 |
| Molecular Weight (g/mol) | 183.25 |
| MDL Number | MFCD00007750 |
| SMILES | NC1=CC=CC=C1CC1=CC=CC=C1 |
| Synonym | 2-Benzylaniline |
| IUPAC Name | 2-benzylaniline |
| InChI Key | DWOBGCPUQNFAFB-UHFFFAOYSA-N |
| Molecular Formula | C13H13N |
Ethyl 3-Hydroxybenzoate 99.0+%, TCI America™
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CAS: 7781-98-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002296 InChI Key: MWSMNBYIEBRXAL-UHFFFAOYSA-N Synonym: ethyl-3-hydroxybenzoate,benzoic acid, 3-hydroxy-, ethyl ester,3-hydroxybenzoic acid ethyl ester,m-ethoxycarbonylphenol,ethyl m-hydroxybenzoate,3-hydroxy-benzoic acid ethyl ester,benzoic acid, m-hydroxy-, ethyl ester,pubchem19923,acmc-209pbw,ethyl 3-oxidanylbenzoate PubChem CID: 24522 IUPAC Name: ethyl 3-hydroxybenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)O
| PubChem CID | 24522 |
|---|---|
| CAS | 7781-98-8 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00002296 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)O |
| Synonym | ethyl-3-hydroxybenzoate,benzoic acid, 3-hydroxy-, ethyl ester,3-hydroxybenzoic acid ethyl ester,m-ethoxycarbonylphenol,ethyl m-hydroxybenzoate,3-hydroxy-benzoic acid ethyl ester,benzoic acid, m-hydroxy-, ethyl ester,pubchem19923,acmc-209pbw,ethyl 3-oxidanylbenzoate |
| IUPAC Name | ethyl 3-hydroxybenzoate |
| InChI Key | MWSMNBYIEBRXAL-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2,7-Dibromo-9,9'-spirobi[9H-fluorene] 98.0+%, TCI America™
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CAS: 171408-84-7 Molecular Formula: C25H14Br2 Molecular Weight (g/mol): 474.20 MDL Number: MFCD08704218 InChI Key: UPJLZKCEPFAKSH-UHFFFAOYSA-N PubChem CID: 15544767 IUPAC Name: 2,7-dibromo-9,9'-spirobi[fluorene] SMILES: BrC1=CC2=C(C=C1)C1=C(C=C(Br)C=C1)C21C2=CC=CC=C2C2=CC=CC=C12
| PubChem CID | 15544767 |
|---|---|
| CAS | 171408-84-7 |
| Molecular Weight (g/mol) | 474.20 |
| MDL Number | MFCD08704218 |
| SMILES | BrC1=CC2=C(C=C1)C1=C(C=C(Br)C=C1)C21C2=CC=CC=C2C2=CC=CC=C12 |
| IUPAC Name | 2,7-dibromo-9,9'-spirobi[fluorene] |
| InChI Key | UPJLZKCEPFAKSH-UHFFFAOYSA-N |
| Molecular Formula | C25H14Br2 |
Methyl 4-Nitrobenzoate 98.0+%, TCI America™
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CAS: 619-50-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007350 InChI Key: YOJAHJGBFDPSDI-UHFFFAOYSA-N Synonym: methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester PubChem CID: 12083 IUPAC Name: methyl 4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 12083 |
|---|---|
| CAS | 619-50-1 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007350 |
| SMILES | COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | methyl p-nitrobenzoate,benzoic acid, 4-nitro-, methyl ester,p-nitrobenzoic acid methyl ester,methyl-p-nitrobenzoate,methyl-4-nitrobenzoate,benzoic acid, p-nitro-, methyl ester,p-carbomethoxynitrobenzene,unii-nmn8cth864,nmn8cth864,4-nitrobenzoic acid methyl ester |
| IUPAC Name | methyl 4-nitrobenzoate |
| InChI Key | YOJAHJGBFDPSDI-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
Methyl 3-Bromobenzoate 99.0+%, TCI America™
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CAS: 618-89-3 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00017777 InChI Key: KMFJVYMFCAIRAN-UHFFFAOYSA-N Synonym: methyl m-bromobenzoate,3-bromobenzoic acid methyl ester,benzoic acid, 3-bromo-, methyl ester,3-bromobenzoic acid, methyl ester,methyl-3-bromobenzoate,benzoic acid, m-bromo-, methyl ester,m-bromobenzoic acid methyl ester,pubchem3961,methyl m-bromo benzoate,methyl 3-bromo-benzoate PubChem CID: 12070 IUPAC Name: methyl 3-bromobenzoate SMILES: COC(=O)C1=CC(=CC=C1)Br
| PubChem CID | 12070 |
|---|---|
| CAS | 618-89-3 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00017777 |
| SMILES | COC(=O)C1=CC(=CC=C1)Br |
| Synonym | methyl m-bromobenzoate,3-bromobenzoic acid methyl ester,benzoic acid, 3-bromo-, methyl ester,3-bromobenzoic acid, methyl ester,methyl-3-bromobenzoate,benzoic acid, m-bromo-, methyl ester,m-bromobenzoic acid methyl ester,pubchem3961,methyl m-bromo benzoate,methyl 3-bromo-benzoate |
| IUPAC Name | methyl 3-bromobenzoate |
| InChI Key | KMFJVYMFCAIRAN-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
4,4'-Bis(chloromethyl)biphenyl 95.0+%, TCI America™
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CAS: 1667-10-3 Molecular Formula: C14H12Cl2 Molecular Weight (g/mol): 251.15 MDL Number: MFCD00674019 InChI Key: INZDTEICWPZYJM-UHFFFAOYSA-N PubChem CID: 74275 IUPAC Name: 4,4'-bis(chloromethyl)-1,1'-biphenyl SMILES: ClCC1=CC=C(C=C1)C1=CC=C(CCl)C=C1
| PubChem CID | 74275 |
|---|---|
| CAS | 1667-10-3 |
| Molecular Weight (g/mol) | 251.15 |
| MDL Number | MFCD00674019 |
| SMILES | ClCC1=CC=C(C=C1)C1=CC=C(CCl)C=C1 |
| IUPAC Name | 4,4'-bis(chloromethyl)-1,1'-biphenyl |
| InChI Key | INZDTEICWPZYJM-UHFFFAOYSA-N |
| Molecular Formula | C14H12Cl2 |
Pentafluorophenylacetic Acid 98.0+%, TCI America™
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CAS: 653-21-4 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.102 MDL Number: MFCD00004316 InChI Key: LGCODSNZJOVMHV-UHFFFAOYSA-N Synonym: pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid PubChem CID: 69553 IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)acetic acid SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O
| PubChem CID | 69553 |
|---|---|
| CAS | 653-21-4 |
| Molecular Weight (g/mol) | 226.102 |
| MDL Number | MFCD00004316 |
| SMILES | C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O |
| Synonym | pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid |
| IUPAC Name | 2-(2,3,4,5,6-pentafluorophenyl)acetic acid |
| InChI Key | LGCODSNZJOVMHV-UHFFFAOYSA-N |
| Molecular Formula | C8H3F5O2 |
2,4,5-Trihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 35094-87-2 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00016592 InChI Key: WNCNWLVQSHZVKV-UHFFFAOYSA-N PubChem CID: 643387 IUPAC Name: 2,4,5-trihydroxybenzaldehyde SMILES: OC1=CC(O)=C(C=O)C=C1O
| PubChem CID | 643387 |
|---|---|
| CAS | 35094-87-2 |
| Molecular Weight (g/mol) | 154.12 |
| MDL Number | MFCD00016592 |
| SMILES | OC1=CC(O)=C(C=O)C=C1O |
| IUPAC Name | 2,4,5-trihydroxybenzaldehyde |
| InChI Key | WNCNWLVQSHZVKV-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
Benzhydrylamine Hydrochloride 98.0+%, TCI America™
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CAS: 5267-34-5 Molecular Formula: C13H14ClN Molecular Weight (g/mol): 219.712 MDL Number: MFCD00013023 InChI Key: CIHWJRSPVJBHGT-UHFFFAOYSA-N Synonym: benzhydrylamine hydrochloride,aminodiphenylmethane hydrochloride,benzhydrylamine, hydrochloride,diphenylmethanamine hydrochloride,benzhydrylammonium chloride,aminodiphenylmethane hcl,1,1-diphenylmethylamine hydrochloride,diphenylmethylamine, chloride,benzhydrylamin hydrochloride,bha-polystyrene PubChem CID: 78921 IUPAC Name: diphenylmethanamine;hydrochloride SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N.Cl
| PubChem CID | 78921 |
|---|---|
| CAS | 5267-34-5 |
| Molecular Weight (g/mol) | 219.712 |
| MDL Number | MFCD00013023 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)N.Cl |
| Synonym | benzhydrylamine hydrochloride,aminodiphenylmethane hydrochloride,benzhydrylamine, hydrochloride,diphenylmethanamine hydrochloride,benzhydrylammonium chloride,aminodiphenylmethane hcl,1,1-diphenylmethylamine hydrochloride,diphenylmethylamine, chloride,benzhydrylamin hydrochloride,bha-polystyrene |
| IUPAC Name | diphenylmethanamine;hydrochloride |
| InChI Key | CIHWJRSPVJBHGT-UHFFFAOYSA-N |
| Molecular Formula | C13H14ClN |
2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 98.0+%, TCI America™
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CAS: 876062-39-4 Molecular Formula: C12H16BFO2 Molecular Weight (g/mol): 222.07 MDL Number: MFCD05663874 InChI Key: RZYXBJMVAFMMLQ-UHFFFAOYSA-N Synonym: 1-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene, 2-Fluorophenylboronic Acid Pinacol Ester PubChem CID: 12159722 IUPAC Name: 2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC=C1F
| PubChem CID | 12159722 |
|---|---|
| CAS | 876062-39-4 |
| Molecular Weight (g/mol) | 222.07 |
| MDL Number | MFCD05663874 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=CC=C1F |
| Synonym | 1-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene, 2-Fluorophenylboronic Acid Pinacol Ester |
| IUPAC Name | 2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | RZYXBJMVAFMMLQ-UHFFFAOYSA-N |
| Molecular Formula | C12H16BFO2 |
alpha-Bromo-m-xylene 90.0+%, TCI America™
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CAS: 620-13-3 Molecular Formula: C8H9Br Molecular Weight (g/mol): 185.064 MDL Number: MFCD00000177 InChI Key: FWLWTILKTABGKQ-UHFFFAOYSA-N Synonym: 3-methylbenzyl bromide,1-bromomethyl-3-methylbenzene,alpha-bromo-m-xylene,m-methylbenzyl bromide,m-xylyl bromide,benzene, 1-bromomethyl-3-methyl,3-bromomethyl toluene,m-xylene, .alpha.-bromo,3-methylbenzylbromide,m-xylene, alpha-bromo PubChem CID: 12099 IUPAC Name: 1-(bromomethyl)-3-methylbenzene SMILES: CC1=CC(=CC=C1)CBr
| PubChem CID | 12099 |
|---|---|
| CAS | 620-13-3 |
| Molecular Weight (g/mol) | 185.064 |
| MDL Number | MFCD00000177 |
| SMILES | CC1=CC(=CC=C1)CBr |
| Synonym | 3-methylbenzyl bromide,1-bromomethyl-3-methylbenzene,alpha-bromo-m-xylene,m-methylbenzyl bromide,m-xylyl bromide,benzene, 1-bromomethyl-3-methyl,3-bromomethyl toluene,m-xylene, .alpha.-bromo,3-methylbenzylbromide,m-xylene, alpha-bromo |
| IUPAC Name | 1-(bromomethyl)-3-methylbenzene |
| InChI Key | FWLWTILKTABGKQ-UHFFFAOYSA-N |
| Molecular Formula | C8H9Br |
1,3,5-Tris(3-bromophenyl)benzene 96.0+%, TCI America™
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CAS: 96761-85-2 Molecular Formula: C24H15Br3 Molecular Weight (g/mol): 543.096 MDL Number: MFCD02323390 InChI Key: JKCQADHKVQXKFF-UHFFFAOYSA-N PubChem CID: 4576280 IUPAC Name: 1,3,5-tris(3-bromophenyl)benzene SMILES: C1=CC(=CC(=C1)Br)C2=CC(=CC(=C2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br
| PubChem CID | 4576280 |
|---|---|
| CAS | 96761-85-2 |
| Molecular Weight (g/mol) | 543.096 |
| MDL Number | MFCD02323390 |
| SMILES | C1=CC(=CC(=C1)Br)C2=CC(=CC(=C2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br |
| IUPAC Name | 1,3,5-tris(3-bromophenyl)benzene |
| InChI Key | JKCQADHKVQXKFF-UHFFFAOYSA-N |
| Molecular Formula | C24H15Br3 |
3-Formyl-2-methoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| Molecular Weight (g/mol) | 179.966 |
|---|---|
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=C(C(=CC=C1)C=O)OC)(O)O |
| InChI Key | DUROSIJIMLRFHR-UHFFFAOYSA-N |
| PubChem CID | 16218167 |
| CAS | 480424-49-5 |
| MDL Number | MFCD08689486 |
| TSCA | No |
| Recommended Storage | Refrigerator |
| IUPAC Name | (3-formyl-2-methoxyphenyl)boronic acid |
| Molecular Formula | C8H9BO4 |
| Formula Weight | 179.97 |
| Melting Point | 128°C |
p-Xylylene Dithiocyanate 98.0+%, TCI America™
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CAS: 1014-99-9 Molecular Formula: C10H8N2S2 Molecular Weight (g/mol): 220.308 InChI Key: ZMFLUYPLYCZQDR-UHFFFAOYSA-N PubChem CID: 4460705 IUPAC Name: [4-(thiocyanatomethyl)phenyl]methyl thiocyanate SMILES: C1=CC(=CC=C1CSC#N)CSC#N
| PubChem CID | 4460705 |
|---|---|
| CAS | 1014-99-9 |
| Molecular Weight (g/mol) | 220.308 |
| SMILES | C1=CC(=CC=C1CSC#N)CSC#N |
| IUPAC Name | [4-(thiocyanatomethyl)phenyl]methyl thiocyanate |
| InChI Key | ZMFLUYPLYCZQDR-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2S2 |