Benzenoids
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Guaiacol Glycerol Ether 98.0+%, TCI America™
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CAS: 93-14-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00016873 InChI Key: HSRJKNPTNIJEKV-UHFFFAOYNA-N Synonym: guaifenesin,guaiphenesin,glyceryl guaiacolate,glycerol guaiacolate,guaiphenesine,guaiacol glyceryl ether,methphenoxydiol,aeronesin,breonesin,bronchol PubChem CID: 3516 IUPAC Name: 3-(2-methoxyphenoxy)propane-1,2-diol SMILES: COC1=CC=CC=C1OCC(O)CO
| PubChem CID | 3516 |
|---|---|
| CAS | 93-14-1 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00016873 |
| SMILES | COC1=CC=CC=C1OCC(O)CO |
| Synonym | guaifenesin,guaiphenesin,glyceryl guaiacolate,glycerol guaiacolate,guaiphenesine,guaiacol glyceryl ether,methphenoxydiol,aeronesin,breonesin,bronchol |
| IUPAC Name | 3-(2-methoxyphenoxy)propane-1,2-diol |
| InChI Key | HSRJKNPTNIJEKV-UHFFFAOYNA-N |
| Molecular Formula | C10H14O4 |
5-Bromo-2-iodobenzoic Acid 98.0+%, TCI America™
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CAS: 21740-00-1 Molecular Formula: C7H4BrIO2 Molecular Weight (g/mol): 326.915 MDL Number: MFCD00079717 InChI Key: IGBNDUKRHPTOBP-UHFFFAOYSA-N Synonym: 2-iodo-5-bromobenzoic acid,5-bromo-2-iodo-benzoic acid,benzoic acid, 5-bromo-2-iodo,5-bromo-2-iodobenzoicacid,pubchem3789,acmc-1bfz2,ksc497i6j,rarechem al bo 0892,akos bbv-001713,5-bromo-2-iodobenzoic acid PubChem CID: 302939 IUPAC Name: 5-bromo-2-iodobenzoic acid SMILES: C1=CC(=C(C=C1Br)C(=O)O)I
| PubChem CID | 302939 |
|---|---|
| CAS | 21740-00-1 |
| Molecular Weight (g/mol) | 326.915 |
| MDL Number | MFCD00079717 |
| SMILES | C1=CC(=C(C=C1Br)C(=O)O)I |
| Synonym | 2-iodo-5-bromobenzoic acid,5-bromo-2-iodo-benzoic acid,benzoic acid, 5-bromo-2-iodo,5-bromo-2-iodobenzoicacid,pubchem3789,acmc-1bfz2,ksc497i6j,rarechem al bo 0892,akos bbv-001713,5-bromo-2-iodobenzoic acid |
| IUPAC Name | 5-bromo-2-iodobenzoic acid |
| InChI Key | IGBNDUKRHPTOBP-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrIO2 |
1,3-Dibromo-5-n-octylbenzene 98.0+%, TCI America™
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CAS: 75894-99-4 Molecular Formula: C14H20Br2 Molecular Weight (g/mol): 348.122 InChI Key: OHOXSSBAVJERNK-UHFFFAOYSA-N PubChem CID: 101748485 IUPAC Name: 1,3-dibromo-5-octylbenzene SMILES: CCCCCCCCC1=CC(=CC(=C1)Br)Br
| PubChem CID | 101748485 |
|---|---|
| CAS | 75894-99-4 |
| Molecular Weight (g/mol) | 348.122 |
| SMILES | CCCCCCCCC1=CC(=CC(=C1)Br)Br |
| IUPAC Name | 1,3-dibromo-5-octylbenzene |
| InChI Key | OHOXSSBAVJERNK-UHFFFAOYSA-N |
| Molecular Formula | C14H20Br2 |
N-Methylacetanilide 98.0+%, TCI America™
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CAS: 579-10-2 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00026181 InChI Key: LMTGCJANOQOGPI-UHFFFAOYSA-N Synonym: N-Acetylmethylaniline PubChem CID: 11364 IUPAC Name: N-methyl-N-phenylacetamide SMILES: CN(C(C)=O)C1=CC=CC=C1
| PubChem CID | 11364 |
|---|---|
| CAS | 579-10-2 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00026181 |
| SMILES | CN(C(C)=O)C1=CC=CC=C1 |
| Synonym | N-Acetylmethylaniline |
| IUPAC Name | N-methyl-N-phenylacetamide |
| InChI Key | LMTGCJANOQOGPI-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
2-Amino-6-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 4389-50-8 Molecular Formula: C8H8NO2 Molecular Weight (g/mol): 150.16 MDL Number: MFCD00007809 InChI Key: XHYVBIXKORFHFM-UHFFFAOYSA-M Synonym: 6-methylanthranilic acid,6-amino-o-toluic acid,benzoic acid, 2-amino-6-methyl,2-amino-6-methyl-benzoic acid,6-methylanthranilate,pubchem4957,acmc-209jvt,6-methyl anthranilic acid,3-amino-2-carboxytoluene,2-carboxy-3-methylaniline PubChem CID: 151210 IUPAC Name: 2-amino-6-methylbenzoate SMILES: CC1=CC=CC(N)=C1C([O-])=O
| PubChem CID | 151210 |
|---|---|
| CAS | 4389-50-8 |
| Molecular Weight (g/mol) | 150.16 |
| MDL Number | MFCD00007809 |
| SMILES | CC1=CC=CC(N)=C1C([O-])=O |
| Synonym | 6-methylanthranilic acid,6-amino-o-toluic acid,benzoic acid, 2-amino-6-methyl,2-amino-6-methyl-benzoic acid,6-methylanthranilate,pubchem4957,acmc-209jvt,6-methyl anthranilic acid,3-amino-2-carboxytoluene,2-carboxy-3-methylaniline |
| IUPAC Name | 2-amino-6-methylbenzoate |
| InChI Key | XHYVBIXKORFHFM-UHFFFAOYSA-M |
| Molecular Formula | C8H8NO2 |
3-Amino-4-methylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2737803 |
|---|---|
| CAS | 22237-12-3 |
| Physical Form | Crystalline Powder |
| TSCA | No |
| Formula Weight | 150.97 |
2-Amino-4-chloro-5-nitrophenol 98.0+%, TCI America™
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CAS: 6358-07-2 Molecular Formula: C6H5ClN2O3 Molecular Weight (g/mol): 188.57 MDL Number: MFCD00010300 InChI Key: ZARYBZGMUVAJMK-UHFFFAOYSA-N Synonym: 5-Chloro-2-hydroxy-4-nitroaniline PubChem CID: 3894848 IUPAC Name: 2-amino-4-chloro-5-nitrophenol SMILES: C1=C(C(=CC(=C1Cl)[N+](=O)[O-])O)N
| PubChem CID | 3894848 |
|---|---|
| CAS | 6358-07-2 |
| Molecular Weight (g/mol) | 188.57 |
| MDL Number | MFCD00010300 |
| SMILES | C1=C(C(=CC(=C1Cl)[N+](=O)[O-])O)N |
| Synonym | 5-Chloro-2-hydroxy-4-nitroaniline |
| IUPAC Name | 2-amino-4-chloro-5-nitrophenol |
| InChI Key | ZARYBZGMUVAJMK-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClN2O3 |
4,4'-Dibromo-2-nitrobiphenyl 98.0+%, TCI America™
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CAS: 439797-69-0 Molecular Formula: C12H7Br2NO2 Molecular Weight (g/mol): 357.001 MDL Number: MFCD05854318 InChI Key: FMSJGXRUJCWSJL-UHFFFAOYSA-N PubChem CID: 1519133 IUPAC Name: 4-bromo-1-(4-bromophenyl)-2-nitrobenzene SMILES: C1=CC(=CC=C1C2=C(C=C(C=C2)Br)[N+](=O)[O-])Br
| PubChem CID | 1519133 |
|---|---|
| CAS | 439797-69-0 |
| Molecular Weight (g/mol) | 357.001 |
| MDL Number | MFCD05854318 |
| SMILES | C1=CC(=CC=C1C2=C(C=C(C=C2)Br)[N+](=O)[O-])Br |
| IUPAC Name | 4-bromo-1-(4-bromophenyl)-2-nitrobenzene |
| InChI Key | FMSJGXRUJCWSJL-UHFFFAOYSA-N |
| Molecular Formula | C12H7Br2NO2 |
2-Cyclohexyl-5-methylphenol 97.0+%, TCI America™
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CAS: 1596-13-0 Molecular Formula: C13H18O Molecular Weight (g/mol): 190.286 MDL Number: MFCD00142903 InChI Key: SRGATTGYDONWOU-UHFFFAOYSA-N Synonym: 4-Cyclohexyl-3-hydroxytoluene PubChem CID: 1538498 IUPAC Name: 2-cyclohexyl-5-methylphenol SMILES: CC1=CC(=C(C=C1)C2CCCCC2)O
| PubChem CID | 1538498 |
|---|---|
| CAS | 1596-13-0 |
| Molecular Weight (g/mol) | 190.286 |
| MDL Number | MFCD00142903 |
| SMILES | CC1=CC(=C(C=C1)C2CCCCC2)O |
| Synonym | 4-Cyclohexyl-3-hydroxytoluene |
| IUPAC Name | 2-cyclohexyl-5-methylphenol |
| InChI Key | SRGATTGYDONWOU-UHFFFAOYSA-N |
| Molecular Formula | C13H18O |
3,4-Dibromotoluene 98.0+%, TCI America™
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CAS: 60956-23-2 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.933 MDL Number: MFCD00079744 InChI Key: LDCPXNOCWDGYIU-UHFFFAOYSA-N Synonym: 3,4-dibromotoluene,benzene, 1,2-dibromo-4-methyl,3,4 dibromo toluene,benzene,1,2-dibromo-4-methyl,3,4-dibromtoluol,3,4 dibromotoluene,pubchem3930,acmc-1b64t,ksc493e6j PubChem CID: 34679 IUPAC Name: 1,2-dibromo-4-methylbenzene SMILES: CC1=CC(=C(C=C1)Br)Br
| PubChem CID | 34679 |
|---|---|
| CAS | 60956-23-2 |
| Molecular Weight (g/mol) | 249.933 |
| MDL Number | MFCD00079744 |
| SMILES | CC1=CC(=C(C=C1)Br)Br |
| Synonym | 3,4-dibromotoluene,benzene, 1,2-dibromo-4-methyl,3,4 dibromo toluene,benzene,1,2-dibromo-4-methyl,3,4-dibromtoluol,3,4 dibromotoluene,pubchem3930,acmc-1b64t,ksc493e6j |
| IUPAC Name | 1,2-dibromo-4-methylbenzene |
| InChI Key | LDCPXNOCWDGYIU-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2 |
2-Bromocumene 97.0+%, TCI America™
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CAS: 7073-94-1 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00051567 InChI Key: LECYCYNAEJDSIL-UHFFFAOYSA-N Synonym: 1-bromo-2-isopropylbenzene,1-bromo-2-1-methylethyl benzene,2-isopropylbromobenzene,o-bromocumene,2-bromocumene,2-bromo cumene,cumene, o-bromo,benzene, 1-bromo-2-1-methylethyl,1-bromo-2-propan-2-yl benzene,1-bromo-2-isopropyl benzene PubChem CID: 23475 IUPAC Name: 1-bromo-2-propan-2-ylbenzene SMILES: CC(C)C1=CC=CC=C1Br
| PubChem CID | 23475 |
|---|---|
| CAS | 7073-94-1 |
| Molecular Weight (g/mol) | 199.091 |
| MDL Number | MFCD00051567 |
| SMILES | CC(C)C1=CC=CC=C1Br |
| Synonym | 1-bromo-2-isopropylbenzene,1-bromo-2-1-methylethyl benzene,2-isopropylbromobenzene,o-bromocumene,2-bromocumene,2-bromo cumene,cumene, o-bromo,benzene, 1-bromo-2-1-methylethyl,1-bromo-2-propan-2-yl benzene,1-bromo-2-isopropyl benzene |
| IUPAC Name | 1-bromo-2-propan-2-ylbenzene |
| InChI Key | LECYCYNAEJDSIL-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |
3-Methyl-2-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 5437-38-7 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007180 InChI Key: DGDAVTPQCQXLGU-UHFFFAOYSA-N Synonym: 3-methyl-2-nitrobenzoic acid,2-nitro-m-toluic acid,2-nitro-3-methylbenzoic acid,benzoic acid, 3-methyl-2-nitro,unii-61wop984ab,3-methyl-2-nitro-benzoic acid,3-methyl-2-nitrobenzoicacid,pubchem8352,acmc-1ashh,dsstox_cid_5640 PubChem CID: 21575 IUPAC Name: 3-methyl-2-nitrobenzoic acid SMILES: CC1=CC=CC(C(O)=O)=C1[N+]([O-])=O
| PubChem CID | 21575 |
|---|---|
| CAS | 5437-38-7 |
| Molecular Weight (g/mol) | 181.15 |
| MDL Number | MFCD00007180 |
| SMILES | CC1=CC=CC(C(O)=O)=C1[N+]([O-])=O |
| Synonym | 3-methyl-2-nitrobenzoic acid,2-nitro-m-toluic acid,2-nitro-3-methylbenzoic acid,benzoic acid, 3-methyl-2-nitro,unii-61wop984ab,3-methyl-2-nitro-benzoic acid,3-methyl-2-nitrobenzoicacid,pubchem8352,acmc-1ashh,dsstox_cid_5640 |
| IUPAC Name | 3-methyl-2-nitrobenzoic acid |
| InChI Key | DGDAVTPQCQXLGU-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
4-Fluoro-2-methylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2734665 |
|---|---|
| CAS | 139911-29-8 |
| Molecular Weight (g/mol) | 153.947 |
| MDL Number | MFCD02093072 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=C(C=C(C=C1)F)C)(O)O |
| TSCA | No |
| IUPAC Name | (4-fluoro-2-methylphenyl)boronic acid |
| InChI Key | IQMLIVUHMSIOQP-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO2 |
| Formula Weight | 153.95 |
| Melting Point | 201°C |
6-Acetoxy-2-naphthoic Acid 98.0+%, TCI America™
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CAS: 17295-26-0 Molecular Formula: C13H10O4 Molecular Weight (g/mol): 230.219 MDL Number: MFCD00059556 InChI Key: NFTLBCXRDNIJMI-UHFFFAOYSA-N Synonym: 6-acetoxy-2-naphthoic acid,6-acetyloxy-2-naphthoic acid,2-naphthalenecarboxylic acid, 6-acetyloxy,6-acetyloxy naphthalene-2-carboxylic acid,6-hydroxy-2-naphthoic acid acetate,6-acetoxy-2-naphthoicacid,acmc-209e5j,6-acetoxy-2-naphtoic acid,2-acetoxy-6-naphthoic acid PubChem CID: 87038 IUPAC Name: 6-acetyloxynaphthalene-2-carboxylic acid SMILES: CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(=O)O
| PubChem CID | 87038 |
|---|---|
| CAS | 17295-26-0 |
| Molecular Weight (g/mol) | 230.219 |
| MDL Number | MFCD00059556 |
| SMILES | CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(=O)O |
| Synonym | 6-acetoxy-2-naphthoic acid,6-acetyloxy-2-naphthoic acid,2-naphthalenecarboxylic acid, 6-acetyloxy,6-acetyloxy naphthalene-2-carboxylic acid,6-hydroxy-2-naphthoic acid acetate,6-acetoxy-2-naphthoicacid,acmc-209e5j,6-acetoxy-2-naphtoic acid,2-acetoxy-6-naphthoic acid |
| IUPAC Name | 6-acetyloxynaphthalene-2-carboxylic acid |
| InChI Key | NFTLBCXRDNIJMI-UHFFFAOYSA-N |
| Molecular Formula | C13H10O4 |
(R)-(+)-2-Diphenylphosphino-2'-methoxy-1,1'-binaphthyl 98.0+%, TCI America™
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CAS: 145964-33-6 Molecular Formula: C33H25OP Molecular Weight (g/mol): 468.536 MDL Number: MFCD00269686 InChI Key: KRWTWSSMURUMDE-UHFFFAOYSA-N Synonym: (R)-(+)-MOP PubChem CID: 4190002 IUPAC Name: [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane SMILES: COC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)P(C5=CC=CC=C5)C6=CC=CC=C6
| PubChem CID | 4190002 |
|---|---|
| CAS | 145964-33-6 |
| Molecular Weight (g/mol) | 468.536 |
| MDL Number | MFCD00269686 |
| SMILES | COC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)P(C5=CC=CC=C5)C6=CC=CC=C6 |
| Synonym | (R)-(+)-MOP |
| IUPAC Name | [1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane |
| InChI Key | KRWTWSSMURUMDE-UHFFFAOYSA-N |
| Molecular Formula | C33H25OP |