Benzene and substituted derivatives
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2-Methylbenzophenone 98.0+%, TCI America™
CAS: 131-58-8 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.249 MDL Number: MFCD00008518 InChI Key: CKGKXGQVRVAKEA-UHFFFAOYSA-N Synonym: 2-methylbenzophenone,o-methylbenzophenone,methanone, 2-methylphenyl phenyl,phenyl o-tolyl ketone,2-methylphenyl phenyl methanone,benzophenone, 2-methyl,2-methylphenyl-phenylmethanone,unii-lsn1480nff,phenyl tolyl ketone,phenyl 2-tolyl ketone PubChem CID: 67230 IUPAC Name: (2-methylphenyl)-phenylmethanone SMILES: CC1=CC=CC=C1C(=O)C2=CC=CC=C2
| PubChem CID | 67230 |
|---|---|
| CAS | 131-58-8 |
| Molecular Weight (g/mol) | 196.249 |
| MDL Number | MFCD00008518 |
| SMILES | CC1=CC=CC=C1C(=O)C2=CC=CC=C2 |
| Synonym | 2-methylbenzophenone,o-methylbenzophenone,methanone, 2-methylphenyl phenyl,phenyl o-tolyl ketone,2-methylphenyl phenyl methanone,benzophenone, 2-methyl,2-methylphenyl-phenylmethanone,unii-lsn1480nff,phenyl tolyl ketone,phenyl 2-tolyl ketone |
| IUPAC Name | (2-methylphenyl)-phenylmethanone |
| InChI Key | CKGKXGQVRVAKEA-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |
Benzyltrimethylammonium Dichloroiodate 97.0+%, TCI America™
CAS: 114971-52-7 Molecular Formula: C10H16Cl2IN Molecular Weight (g/mol): 348.049 MDL Number: MFCD00075259 InChI Key: PPDJNZTUDFPAHX-UHFFFAOYSA-N Synonym: benzyltrimethylammonium dichloroiodate,benzyltrimethylammonium dichloroiodide,btma-icl2,benzyl trimethylammonium dichloroiodate,benzyltrimethylazanium; dichloroiodanuide,pubchem21920,benzyltrimethylammoniumdichloroiodate PubChem CID: 2724680 SMILES: C[N+](C)(C)CC1=CC=CC=C1.Cl[I-]Cl
| PubChem CID | 2724680 |
|---|---|
| CAS | 114971-52-7 |
| Molecular Weight (g/mol) | 348.049 |
| MDL Number | MFCD00075259 |
| SMILES | C[N+](C)(C)CC1=CC=CC=C1.Cl[I-]Cl |
| Synonym | benzyltrimethylammonium dichloroiodate,benzyltrimethylammonium dichloroiodide,btma-icl2,benzyl trimethylammonium dichloroiodate,benzyltrimethylazanium; dichloroiodanuide,pubchem21920,benzyltrimethylammoniumdichloroiodate |
| InChI Key | PPDJNZTUDFPAHX-UHFFFAOYSA-N |
| Molecular Formula | C10H16Cl2IN |
Benzyltrimethylammonium Tetrachloroiodate 95.0+%, TCI America™
CAS: 121309-88-4 Molecular Formula: C10H16Cl4IN Molecular Weight (g/mol): 418.949 MDL Number: MFCD00191607 InChI Key: IBXYFQYYVRYALP-UHFFFAOYSA-N PubChem CID: 11122622 SMILES: C[N+](C)(C)CC1=CC=CC=C1.Cl[I-](Cl)(Cl)Cl
| PubChem CID | 11122622 |
|---|---|
| CAS | 121309-88-4 |
| Molecular Weight (g/mol) | 418.949 |
| MDL Number | MFCD00191607 |
| SMILES | C[N+](C)(C)CC1=CC=CC=C1.Cl[I-](Cl)(Cl)Cl |
| InChI Key | IBXYFQYYVRYALP-UHFFFAOYSA-N |
| Molecular Formula | C10H16Cl4IN |
2-Nitrobenzyl Bromide 98.0+%, TCI America™
CAS: 3958-60-9 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00007184 InChI Key: HXBMIQJOSHZCFX-UHFFFAOYSA-N Synonym: 2-nitrobenzyl bromide,1-bromomethyl-2-nitrobenzene,o-nitrobenzyl bromide,alpha-bromo-2-nitrotoluene,2-bromomethyl nitrobenzene,1-bromomethyl-2-nitro-benzene,benzene, 1-bromomethyl-2-nitro,ccris 7966,2-nitro benzyl bromide,2-nitro-benzyl bromide PubChem CID: 77569 IUPAC Name: 1-(bromomethyl)-2-nitrobenzene SMILES: C1=CC=C(C(=C1)CBr)[N+](=O)[O-]
| PubChem CID | 77569 |
|---|---|
| CAS | 3958-60-9 |
| Molecular Weight (g/mol) | 216.034 |
| MDL Number | MFCD00007184 |
| SMILES | C1=CC=C(C(=C1)CBr)[N+](=O)[O-] |
| Synonym | 2-nitrobenzyl bromide,1-bromomethyl-2-nitrobenzene,o-nitrobenzyl bromide,alpha-bromo-2-nitrotoluene,2-bromomethyl nitrobenzene,1-bromomethyl-2-nitro-benzene,benzene, 1-bromomethyl-2-nitro,ccris 7966,2-nitro benzyl bromide,2-nitro-benzyl bromide |
| IUPAC Name | 1-(bromomethyl)-2-nitrobenzene |
| InChI Key | HXBMIQJOSHZCFX-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
Methyl 3-Iodo-4-methoxybenzoate 98.0+%, TCI America™
CAS: 35387-93-0 Molecular Formula: C9H9IO3 Molecular Weight (g/mol): 292.07 MDL Number: MFCD00052925 InChI Key: GHNGBFHLUOJHKP-UHFFFAOYSA-N Synonym: 3-iodo-4-methoxy-benzoic acid methyl ester,3-iodo-4-methoxybenzoic acid methyl ester,benzoic acid, 3-iodo-4-methoxy-, methyl ester,methyl3-iodo-4-methoxybenzoate,methyl 3-iodo-p-anisate,acmc-1agb4,ksc495q3h,methyl-3-iodo-4-methoxybenzoate,methyl 3-iodo-4-methoxy-benzoate,3-iodo-p-anisic acid methyl ester PubChem CID: 316980 IUPAC Name: methyl 3-iodo-4-methoxybenzoate SMILES: COC(=O)C1=CC=C(OC)C(I)=C1
| PubChem CID | 316980 |
|---|---|
| CAS | 35387-93-0 |
| Molecular Weight (g/mol) | 292.07 |
| MDL Number | MFCD00052925 |
| SMILES | COC(=O)C1=CC=C(OC)C(I)=C1 |
| Synonym | 3-iodo-4-methoxy-benzoic acid methyl ester,3-iodo-4-methoxybenzoic acid methyl ester,benzoic acid, 3-iodo-4-methoxy-, methyl ester,methyl3-iodo-4-methoxybenzoate,methyl 3-iodo-p-anisate,acmc-1agb4,ksc495q3h,methyl-3-iodo-4-methoxybenzoate,methyl 3-iodo-4-methoxy-benzoate,3-iodo-p-anisic acid methyl ester |
| IUPAC Name | methyl 3-iodo-4-methoxybenzoate |
| InChI Key | GHNGBFHLUOJHKP-UHFFFAOYSA-N |
| Molecular Formula | C9H9IO3 |
4-Bromo-3,5-dimethoxybenzoic Acid 97.0+%, TCI America™
CAS: 56518-42-4 Molecular Formula: C9H8BrO4 Molecular Weight (g/mol): 260.06 MDL Number: MFCD01632140 InChI Key: JNFZULSIYYVRJO-UHFFFAOYSA-M Synonym: benzoic acid, 4-bromo-3,5-dimethoxy,zlchem 1334,acmc-1az7r,jnfzulsiyyvrjo-uhfffaoysa,3,5-dimethoxy-4-bromobenzoic acid,4-bromo-3,5-dimethoxybenzoic acid PubChem CID: 2774026 IUPAC Name: 4-bromo-3,5-dimethoxybenzoate SMILES: COC1=CC(=CC(OC)=C1Br)C([O-])=O
| PubChem CID | 2774026 |
|---|---|
| CAS | 56518-42-4 |
| Molecular Weight (g/mol) | 260.06 |
| MDL Number | MFCD01632140 |
| SMILES | COC1=CC(=CC(OC)=C1Br)C([O-])=O |
| Synonym | benzoic acid, 4-bromo-3,5-dimethoxy,zlchem 1334,acmc-1az7r,jnfzulsiyyvrjo-uhfffaoysa,3,5-dimethoxy-4-bromobenzoic acid,4-bromo-3,5-dimethoxybenzoic acid |
| IUPAC Name | 4-bromo-3,5-dimethoxybenzoate |
| InChI Key | JNFZULSIYYVRJO-UHFFFAOYSA-M |
| Molecular Formula | C9H8BrO4 |
Methyl 3-Methoxy-4-methylbenzoate 98.0+%, TCI America™
CAS: 3556-83-0 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00082710 InChI Key: LLEXCSBUSVRBCA-UHFFFAOYSA-N Synonym: 3-methoxy-4-methylbenzoic acid methyl ester,methyl 3-methoxy-p-toluate,4-methyl-m-anisic acid methyl ester,benzoic acid, 3-methoxy-4-methyl-, methyl ester,pubchem13650,methyl 4-methyl-m-anisate,acmc-1cs22,methyl3-methoxy-4-methylbenzoate,methyl 3-methoxy-4-methyl-benzoate,3-methoxy-p-toluic acid methyl ester PubChem CID: 591123 IUPAC Name: methyl 3-methoxy-4-methylbenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)OC
| PubChem CID | 591123 |
|---|---|
| CAS | 3556-83-0 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00082710 |
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)OC |
| Synonym | 3-methoxy-4-methylbenzoic acid methyl ester,methyl 3-methoxy-p-toluate,4-methyl-m-anisic acid methyl ester,benzoic acid, 3-methoxy-4-methyl-, methyl ester,pubchem13650,methyl 4-methyl-m-anisate,acmc-1cs22,methyl3-methoxy-4-methylbenzoate,methyl 3-methoxy-4-methyl-benzoate,3-methoxy-p-toluic acid methyl ester |
| IUPAC Name | methyl 3-methoxy-4-methylbenzoate |
| InChI Key | LLEXCSBUSVRBCA-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Methyl 3,5-Dimethoxybenzoate 99.0+%, TCI America™
CAS: 2150-37-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00008432 InChI Key: YXUIOVUOFQKWDM-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzoic acid methyl ester,benzoic acid, 3,5-dimethoxy-, methyl ester,3,5-dimethoxybenzoic acid methyl,methyl 3,5-bis methyloxy benzoate,acmc-1ccvs,rarechem al bf 0065,methyl 3,5-dimethoxybnezoate,ksc489q8p,ethyl 3,5-dimethoxybenzoate,methyl 3,5-dimethoxybenzoate PubChem CID: 75074 IUPAC Name: methyl 3,5-dimethoxybenzoate SMILES: COC(=O)C1=CC(OC)=CC(OC)=C1
| PubChem CID | 75074 |
|---|---|
| CAS | 2150-37-0 |
| Molecular Weight (g/mol) | 196.20 |
| MDL Number | MFCD00008432 |
| SMILES | COC(=O)C1=CC(OC)=CC(OC)=C1 |
| Synonym | 3,5-dimethoxybenzoic acid methyl ester,benzoic acid, 3,5-dimethoxy-, methyl ester,3,5-dimethoxybenzoic acid methyl,methyl 3,5-bis methyloxy benzoate,acmc-1ccvs,rarechem al bf 0065,methyl 3,5-dimethoxybnezoate,ksc489q8p,ethyl 3,5-dimethoxybenzoate,methyl 3,5-dimethoxybenzoate |
| IUPAC Name | methyl 3,5-dimethoxybenzoate |
| InChI Key | YXUIOVUOFQKWDM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
4-Methoxysalicylic Acid 98.0+%, TCI America™
CAS: 2237-36-7 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002450 InChI Key: MRIXVKKOHPQOFK-UHFFFAOYSA-N Synonym: 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b PubChem CID: 75231 IUPAC Name: 2-hydroxy-4-methoxybenzoic acid SMILES: COC1=CC=C(C(O)=O)C(O)=C1
| PubChem CID | 75231 |
|---|---|
| CAS | 2237-36-7 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00002450 |
| SMILES | COC1=CC=C(C(O)=O)C(O)=C1 |
| Synonym | 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b |
| IUPAC Name | 2-hydroxy-4-methoxybenzoic acid |
| InChI Key | MRIXVKKOHPQOFK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
4-Methoxy-3-(trifluoromethyl)benzoic Acid 98.0+%, TCI America™
CAS: 213598-09-5 Molecular Formula: C9H7F3O3 Molecular Weight (g/mol): 220.15 MDL Number: MFCD01091014 InChI Key: VNWUPESTVBTYJM-UHFFFAOYSA-N Synonym: 4-methoxy-3-trifluoromethyl benzoic acid,4-methoxy-3-trifluoromethyl-benzoic acid,acmc-1cr7h,3-trifluoromethyl-4-methoxybenzoic acid,benzoic acid, 4-methoxy-3-trifluoromethyl,4-methyloxy-3-trifluoromethyl benzoic acid PubChem CID: 2775295 IUPAC Name: 4-methoxy-3-(trifluoromethyl)benzoic acid SMILES: COC1=CC=C(C=C1C(F)(F)F)C(O)=O
| PubChem CID | 2775295 |
|---|---|
| CAS | 213598-09-5 |
| Molecular Weight (g/mol) | 220.15 |
| MDL Number | MFCD01091014 |
| SMILES | COC1=CC=C(C=C1C(F)(F)F)C(O)=O |
| Synonym | 4-methoxy-3-trifluoromethyl benzoic acid,4-methoxy-3-trifluoromethyl-benzoic acid,acmc-1cr7h,3-trifluoromethyl-4-methoxybenzoic acid,benzoic acid, 4-methoxy-3-trifluoromethyl,4-methyloxy-3-trifluoromethyl benzoic acid |
| IUPAC Name | 4-methoxy-3-(trifluoromethyl)benzoic acid |
| InChI Key | VNWUPESTVBTYJM-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O3 |
3-Methoxy-4-methylbenzoic Acid 98.0+%, TCI America™
CAS: 7151-68-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002566 InChI Key: CEAVPXDEPGAVDA-UHFFFAOYSA-N Synonym: 4-methyl-m-anisic acid,3-methoxy-p-toluic acid,benzoic acid, 3-methoxy-4-methyl,3-methoxy-4-methyl-benzoic acid,3-methoxy-4-methyl benzoic acid,3-methoxy-p-toluic acid; 4-methyl-m-anisic acid,3-methoxy-4-methylbenzoicacid,pubchem2672,5-carboxy-2-methylanisole,acmc-209oj0 PubChem CID: 81579 IUPAC Name: 3-methoxy-4-methylbenzoic acid SMILES: COC1=CC(=CC=C1C)C(O)=O
| PubChem CID | 81579 |
|---|---|
| CAS | 7151-68-0 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00002566 |
| SMILES | COC1=CC(=CC=C1C)C(O)=O |
| Synonym | 4-methyl-m-anisic acid,3-methoxy-p-toluic acid,benzoic acid, 3-methoxy-4-methyl,3-methoxy-4-methyl-benzoic acid,3-methoxy-4-methyl benzoic acid,3-methoxy-p-toluic acid; 4-methyl-m-anisic acid,3-methoxy-4-methylbenzoicacid,pubchem2672,5-carboxy-2-methylanisole,acmc-209oj0 |
| IUPAC Name | 3-methoxy-4-methylbenzoic acid |
| InChI Key | CEAVPXDEPGAVDA-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2,4,6-Trimethoxybenzoic Acid 98.0+%, TCI America™
CAS: 570-02-5 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.20 MDL Number: MFCD00016497 InChI Key: JATAKEDDMQNPOQ-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trimethoxy,2,4,6-trimethoxy-benzoic acid,pubchem13726,acmc-1awjz,ksc495i9p,2,4,6-trimethoxy benzoic acid PubChem CID: 68441 IUPAC Name: 2,4,6-trimethoxybenzoic acid SMILES: COC1=CC(OC)=C(C(O)=O)C(OC)=C1
| PubChem CID | 68441 |
|---|---|
| CAS | 570-02-5 |
| Molecular Weight (g/mol) | 212.20 |
| MDL Number | MFCD00016497 |
| SMILES | COC1=CC(OC)=C(C(O)=O)C(OC)=C1 |
| Synonym | benzoic acid, 2,4,6-trimethoxy,2,4,6-trimethoxy-benzoic acid,pubchem13726,acmc-1awjz,ksc495i9p,2,4,6-trimethoxy benzoic acid |
| IUPAC Name | 2,4,6-trimethoxybenzoic acid |
| InChI Key | JATAKEDDMQNPOQ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O5 |
3-Chloro-4-methoxybenzoic Acid 97.0+%, TCI America™
CAS: 37908-96-6 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.591 MDL Number: MFCD00016512 InChI Key: IBCQUQXCTOPJOD-UHFFFAOYSA-N Synonym: 3-chloro-p-anisic acid,3-chloro-4-methoxybenzolic acid,benzoic acid, 3-chloro-4-methoxy,pubchem19130,acmc-209iw4,ksc494s0j,3-chloro-4-methoxybenzoicacid,rarechem al bo 2400,3-chloro-4-anisic acid,3-chloro-4-methoxy benzoic acid PubChem CID: 169982 IUPAC Name: 3-chloro-4-methoxybenzoic acid SMILES: COC1=C(C=C(C=C1)C(=O)O)Cl
| PubChem CID | 169982 |
|---|---|
| CAS | 37908-96-6 |
| Molecular Weight (g/mol) | 186.591 |
| MDL Number | MFCD00016512 |
| SMILES | COC1=C(C=C(C=C1)C(=O)O)Cl |
| Synonym | 3-chloro-p-anisic acid,3-chloro-4-methoxybenzolic acid,benzoic acid, 3-chloro-4-methoxy,pubchem19130,acmc-209iw4,ksc494s0j,3-chloro-4-methoxybenzoicacid,rarechem al bo 2400,3-chloro-4-anisic acid,3-chloro-4-methoxy benzoic acid |
| IUPAC Name | 3-chloro-4-methoxybenzoic acid |
| InChI Key | IBCQUQXCTOPJOD-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO3 |
Methyl Isovanillate 98.0+%, TCI America™
CAS: 6702-50-7 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD01321262 InChI Key: QXOXUEFXRSIYSW-UHFFFAOYSA-N Synonym: methyl isovanillate,methyl 3-hydroxy-4-methoxybenzenecarboxylate,3-hydroxy-4-methoxybenzoic acid methyl ester,isovanillic acid methyl ester,methyl-3-hydroxy-4-methoxybenzoate,methyl 3-hydroxy-4-methoxy-benzoate,benzoic acid, 3-hydroxy-4-methoxy-, methyl ester,methyl 3-hydroxy-4-methoxy benzoate,isovamllic acid methyl ester,ksc496e5l PubChem CID: 4056967 IUPAC Name: methyl 3-hydroxy-4-methoxybenzoate SMILES: COC(=O)C1=CC(O)=C(OC)C=C1
| PubChem CID | 4056967 |
|---|---|
| CAS | 6702-50-7 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD01321262 |
| SMILES | COC(=O)C1=CC(O)=C(OC)C=C1 |
| Synonym | methyl isovanillate,methyl 3-hydroxy-4-methoxybenzenecarboxylate,3-hydroxy-4-methoxybenzoic acid methyl ester,isovanillic acid methyl ester,methyl-3-hydroxy-4-methoxybenzoate,methyl 3-hydroxy-4-methoxy-benzoate,benzoic acid, 3-hydroxy-4-methoxy-, methyl ester,methyl 3-hydroxy-4-methoxy benzoate,isovamllic acid methyl ester,ksc496e5l |
| IUPAC Name | methyl 3-hydroxy-4-methoxybenzoate |
| InChI Key | QXOXUEFXRSIYSW-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
4-Methoxy-2-methylbenzoic Acid 98.0+%, TCI America™
CAS: 6245-57-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00020291 InChI Key: MSVRGYOYISBGTH-UHFFFAOYSA-N Synonym: 2-methyl-4-methoxybenzoic acid,4-methoxy-2-methyl-benzoic acid,2-methyl-p-anisic acid,benzoic acid, 4-methoxy-2-methyl,4-methoxy-o-toluic acid,acmc-209x9h,ksc495k2d,2-methyl-4-methoxybenzoicacid,2-methyl-4-methoxy-benzoic acid,4-methoxy-2-methyl benzoic acid PubChem CID: 597216 IUPAC Name: 4-methoxy-2-methylbenzoic acid SMILES: COC1=CC(C)=C(C=C1)C(O)=O
| PubChem CID | 597216 |
|---|---|
| CAS | 6245-57-4 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00020291 |
| SMILES | COC1=CC(C)=C(C=C1)C(O)=O |
| Synonym | 2-methyl-4-methoxybenzoic acid,4-methoxy-2-methyl-benzoic acid,2-methyl-p-anisic acid,benzoic acid, 4-methoxy-2-methyl,4-methoxy-o-toluic acid,acmc-209x9h,ksc495k2d,2-methyl-4-methoxybenzoicacid,2-methyl-4-methoxy-benzoic acid,4-methoxy-2-methyl benzoic acid |
| IUPAC Name | 4-methoxy-2-methylbenzoic acid |
| InChI Key | MSVRGYOYISBGTH-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |