Benzene and substituted derivatives
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1-(2,4,6-Triisopropylbenzenesulfonyl)imidazole 98.0+%, TCI America™
CAS: 50257-40-4 Molecular Formula: C18H26N2O2S Molecular Weight (g/mol): 334.478 MDL Number: MFCD00005283 InChI Key: AGGRGODMKWLSDE-UHFFFAOYSA-N Synonym: 1-2,4,6-triisopropylphenyl sulfonyl-1h-imidazole,1-2,4,6-triisopropylbenzenesulfonyl imidazole,1-2,4,6-triisopropylphenylsulfonyl imidazole,tpsi,1-2',4',6'-triisopropylbenzenesulphonyl imidazole,1-2,4,6-tri propan-2-yl phenyl sulfonylimidazole,tpsi 1-2,4,6-triisopropylbenzenesulfonyl imidazole,1h-imidazole, 1-2,4,6-tris 1-methylethyl phenyl sulfonyl,1-2,4,6-trisopropylbenzenesulfonyl imidazole PubChem CID: 521274 IUPAC Name: 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=CN=C2)C(C)C
| PubChem CID | 521274 |
|---|---|
| CAS | 50257-40-4 |
| Molecular Weight (g/mol) | 334.478 |
| MDL Number | MFCD00005283 |
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=CN=C2)C(C)C |
| Synonym | 1-2,4,6-triisopropylphenyl sulfonyl-1h-imidazole,1-2,4,6-triisopropylbenzenesulfonyl imidazole,1-2,4,6-triisopropylphenylsulfonyl imidazole,tpsi,1-2',4',6'-triisopropylbenzenesulphonyl imidazole,1-2,4,6-tri propan-2-yl phenyl sulfonylimidazole,tpsi 1-2,4,6-triisopropylbenzenesulfonyl imidazole,1h-imidazole, 1-2,4,6-tris 1-methylethyl phenyl sulfonyl,1-2,4,6-trisopropylbenzenesulfonyl imidazole |
| IUPAC Name | 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole |
| InChI Key | AGGRGODMKWLSDE-UHFFFAOYSA-N |
| Molecular Formula | C18H26N2O2S |
2-Bromo-4-chlorobenzoic Acid 96.0+%, TCI America™
CAS: 936-08-3 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00672930 InChI Key: USMQLFCVCDEXAK-UHFFFAOYSA-N Synonym: 2-bromo-4-chloro-benzoic acid,benzoic acid, 2-bromo-4-chloro,2-bromo-4-chlorobenzoicacid,pubchem4028,acmc-209rmm,p-chloro bromo benzoic acid,ksc486m1d,benzoicacid, 2-bromo-4-chloro,2-bromo-4-chlorobenzoic acid PubChem CID: 33126 IUPAC Name: 2-bromo-4-chlorobenzoic acid SMILES: C1=CC(=C(C=C1Cl)Br)C(=O)O
| PubChem CID | 33126 |
|---|---|
| CAS | 936-08-3 |
| Molecular Weight (g/mol) | 235.461 |
| MDL Number | MFCD00672930 |
| SMILES | C1=CC(=C(C=C1Cl)Br)C(=O)O |
| Synonym | 2-bromo-4-chloro-benzoic acid,benzoic acid, 2-bromo-4-chloro,2-bromo-4-chlorobenzoicacid,pubchem4028,acmc-209rmm,p-chloro bromo benzoic acid,ksc486m1d,benzoicacid, 2-bromo-4-chloro,2-bromo-4-chlorobenzoic acid |
| IUPAC Name | 2-bromo-4-chlorobenzoic acid |
| InChI Key | USMQLFCVCDEXAK-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO2 |
4-(Trifluoromethyl)salicylic Acid 98.0+%, TCI America™
CAS: 328-90-5 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD01529657 InChI Key: XMLFPUBZFSJWCN-UHFFFAOYSA-N Synonym: 2-Hydroxy-4-(trifluoromethyl)benzoic Acid PubChem CID: 164578 IUPAC Name: 2-hydroxy-4-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC=C(C=C1O)C(F)(F)F
| PubChem CID | 164578 |
|---|---|
| CAS | 328-90-5 |
| Molecular Weight (g/mol) | 206.12 |
| MDL Number | MFCD01529657 |
| SMILES | OC(=O)C1=CC=C(C=C1O)C(F)(F)F |
| Synonym | 2-Hydroxy-4-(trifluoromethyl)benzoic Acid |
| IUPAC Name | 2-hydroxy-4-(trifluoromethyl)benzoic acid |
| InChI Key | XMLFPUBZFSJWCN-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O3 |
| PubChem CID | 53402576 |
|---|---|
| CAS | 909709-42-8 |
| MDL Number | MFCD10687198 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| InChI Key | XZGCBSYWWZAXRC-UHFFFAOYSA-N |
| Molecular Formula | C15H16BFO2 |
| Formula Weight | 258.10 |
2-Ethylhexyl 4-Hydroxybenzoate 98.0+%, TCI America™
CAS: 5153-25-3 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.338 MDL Number: MFCD00016472 InChI Key: VTIMKVIDORQQFA-UHFFFAOYSA-N Synonym: 2-Ethylhexylparaben, 4-Hydroxybenzoic Acid 2-Ethylhexyl Ester, 4-Hydroxybenzoic Acid Octyl Ester, Octyl 4-Hydroxybenzoate, Octylparaben PubChem CID: 107377 ChEBI: CHEBI:34274 IUPAC Name: 2-ethylhexyl 4-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)O
| PubChem CID | 107377 |
|---|---|
| CAS | 5153-25-3 |
| Molecular Weight (g/mol) | 250.338 |
| ChEBI | CHEBI:34274 |
| MDL Number | MFCD00016472 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=C(C=C1)O |
| Synonym | 2-Ethylhexylparaben, 4-Hydroxybenzoic Acid 2-Ethylhexyl Ester, 4-Hydroxybenzoic Acid Octyl Ester, Octyl 4-Hydroxybenzoate, Octylparaben |
| IUPAC Name | 2-ethylhexyl 4-hydroxybenzoate |
| InChI Key | VTIMKVIDORQQFA-UHFFFAOYSA-N |
| Molecular Formula | C15H22O3 |
3-Chlorobenzyl Chloride 98.0+%, TCI America™
CAS: 620-20-2 Molecular Formula: C7H6Cl2 Molecular Weight (g/mol): 161.025 MDL Number: MFCD00000905 InChI Key: DDGRAFHHXYIQQR-UHFFFAOYSA-N Synonym: 3-chlorobenzyl chloride,1-chloro-3-chloromethyl benzene,alpha,3-dichlorotoluene,m-chlorobenzyl chloride,benzene, 1-chloro-3-chloromethyl,3-chlorobenzylchloride,m-chlorbenzyl chloride,1-chloro-3-chloromethyl-benzene,toluene, m,.alpha.-dichloro,m,.alpha.-dichlorotoluene PubChem CID: 12103 IUPAC Name: 1-chloro-3-(chloromethyl)benzene SMILES: C1=CC(=CC(=C1)Cl)CCl
| PubChem CID | 12103 |
|---|---|
| CAS | 620-20-2 |
| Molecular Weight (g/mol) | 161.025 |
| MDL Number | MFCD00000905 |
| SMILES | C1=CC(=CC(=C1)Cl)CCl |
| Synonym | 3-chlorobenzyl chloride,1-chloro-3-chloromethyl benzene,alpha,3-dichlorotoluene,m-chlorobenzyl chloride,benzene, 1-chloro-3-chloromethyl,3-chlorobenzylchloride,m-chlorbenzyl chloride,1-chloro-3-chloromethyl-benzene,toluene, m,.alpha.-dichloro,m,.alpha.-dichlorotoluene |
| IUPAC Name | 1-chloro-3-(chloromethyl)benzene |
| InChI Key | DDGRAFHHXYIQQR-UHFFFAOYSA-N |
| Molecular Formula | C7H6Cl2 |
2,4'-Dihydroxydiphenyl Sulfone 98.0+%, TCI America™
CAS: 5397-34-2 Molecular Formula: C12H10O4S Molecular Weight (g/mol): 250.27 MDL Number: MFCD01631305 InChI Key: LROZSPADHSXFJA-UHFFFAOYSA-N PubChem CID: 79381 IUPAC Name: 4-(2-hydroxybenzenesulfonyl)phenol SMILES: OC1=CC=C(C=C1)S(=O)(=O)C1=CC=CC=C1O
| PubChem CID | 79381 |
|---|---|
| CAS | 5397-34-2 |
| Molecular Weight (g/mol) | 250.27 |
| MDL Number | MFCD01631305 |
| SMILES | OC1=CC=C(C=C1)S(=O)(=O)C1=CC=CC=C1O |
| IUPAC Name | 4-(2-hydroxybenzenesulfonyl)phenol |
| InChI Key | LROZSPADHSXFJA-UHFFFAOYSA-N |
| Molecular Formula | C12H10O4S |
Vanillic Acid 98.0+%, TCI America™
CAS: 121-34-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002551 InChI Key: WKOLLVMJNQIZCI-UHFFFAOYSA-N Synonym: vanillic acid,acide vanillique,p-vanillic acid,benzoic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxybenzoic acid,vanillate,m-anisic acid, 4-hydroxy,protocatechuic acid, 3-methyl ester,4-hydroxy-3-methoxy-benzoic acid,unii-gm8q3jm2y8 PubChem CID: 8468 ChEBI: CHEBI:30816 IUPAC Name: 4-hydroxy-3-methoxybenzoic acid SMILES: COC1=CC(=CC=C1O)C(O)=O
| PubChem CID | 8468 |
|---|---|
| CAS | 121-34-6 |
| Molecular Weight (g/mol) | 168.15 |
| ChEBI | CHEBI:30816 |
| MDL Number | MFCD00002551 |
| SMILES | COC1=CC(=CC=C1O)C(O)=O |
| Synonym | vanillic acid,acide vanillique,p-vanillic acid,benzoic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxybenzoic acid,vanillate,m-anisic acid, 4-hydroxy,protocatechuic acid, 3-methyl ester,4-hydroxy-3-methoxy-benzoic acid,unii-gm8q3jm2y8 |
| IUPAC Name | 4-hydroxy-3-methoxybenzoic acid |
| InChI Key | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
5-Chloro-2-fluorobenzaldehyde 98.0+%, TCI America™
CAS: 96515-79-6 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD03094518 InChI Key: WDTUCEMLUHTMCB-UHFFFAOYSA-N Synonym: 2-fluoro-5-chlorobenzaldehyde,3-chloro-6-fluoro benzaldehyde,3-chloro-6-fluorobenzaldehyde,5-chloro-2-fluoro-benzaldehyde,benzaldehyde, 5-chloro-2-fluoro,2-fluoro-5-chloro-benzaldehyde,zlchem 333,pubchem1411,ksc486m0t,2-fluoro-5-chloro benzaldehyde PubChem CID: 2773586 IUPAC Name: 5-chloro-2-fluorobenzaldehyde SMILES: FC1=CC=C(Cl)C=C1C=O
| PubChem CID | 2773586 |
|---|---|
| CAS | 96515-79-6 |
| Molecular Weight (g/mol) | 158.56 |
| MDL Number | MFCD03094518 |
| SMILES | FC1=CC=C(Cl)C=C1C=O |
| Synonym | 2-fluoro-5-chlorobenzaldehyde,3-chloro-6-fluoro benzaldehyde,3-chloro-6-fluorobenzaldehyde,5-chloro-2-fluoro-benzaldehyde,benzaldehyde, 5-chloro-2-fluoro,2-fluoro-5-chloro-benzaldehyde,zlchem 333,pubchem1411,ksc486m0t,2-fluoro-5-chloro benzaldehyde |
| IUPAC Name | 5-chloro-2-fluorobenzaldehyde |
| InChI Key | WDTUCEMLUHTMCB-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
4-(2',6'-Dimethylphenoxy)phthalonitrile 99.0+%, TCI America™
CAS: 221302-75-6 Molecular Formula: C16H12N2O Molecular Weight (g/mol): 248.285 MDL Number: MFCD00059064 InChI Key: LJUVUOSWARAIBZ-UHFFFAOYSA-N PubChem CID: 952073 IUPAC Name: 4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile SMILES: CC1=C(C(=CC=C1)C)OC2=CC(=C(C=C2)C#N)C#N
| PubChem CID | 952073 |
|---|---|
| CAS | 221302-75-6 |
| Molecular Weight (g/mol) | 248.285 |
| MDL Number | MFCD00059064 |
| SMILES | CC1=C(C(=CC=C1)C)OC2=CC(=C(C=C2)C#N)C#N |
| IUPAC Name | 4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile |
| InChI Key | LJUVUOSWARAIBZ-UHFFFAOYSA-N |
| Molecular Formula | C16H12N2O |
4-Amino-3-chlorobenzotrifluoride 97.0+%, TCI America™
CAS: 39885-50-2 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.57 MDL Number: MFCD00042563 InChI Key: MBBUTABXEITVNY-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl aniline,4-amino-3-chlorobenzotrifluoride,4-amino-5-chloro-benzotrifluoride,benzenamine, 2-chloro-4-trifluoromethyl,3-chloro-4-aminobenzotrifluoride,2-chloro-4-trifluoromethyl-phenylamine,2-chloro-4-trifluoromethyl benzenamine,2-chloro-4-trifluoromethyl phenylamine,4-amino-3-chloro-benzotrifluoride,pubchem2474 PubChem CID: 162001 IUPAC Name: 2-chloro-4-(trifluoromethyl)aniline SMILES: NC1=CC=C(C=C1Cl)C(F)(F)F
| PubChem CID | 162001 |
|---|---|
| CAS | 39885-50-2 |
| Molecular Weight (g/mol) | 195.57 |
| MDL Number | MFCD00042563 |
| SMILES | NC1=CC=C(C=C1Cl)C(F)(F)F |
| Synonym | 2-chloro-4-trifluoromethyl aniline,4-amino-3-chlorobenzotrifluoride,4-amino-5-chloro-benzotrifluoride,benzenamine, 2-chloro-4-trifluoromethyl,3-chloro-4-aminobenzotrifluoride,2-chloro-4-trifluoromethyl-phenylamine,2-chloro-4-trifluoromethyl benzenamine,2-chloro-4-trifluoromethyl phenylamine,4-amino-3-chloro-benzotrifluoride,pubchem2474 |
| IUPAC Name | 2-chloro-4-(trifluoromethyl)aniline |
| InChI Key | MBBUTABXEITVNY-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClF3N |
2-Hydroxy-N-methylbenzylamine Hydrochloride 98.0+%, TCI America™
CAS: 60399-02-2 Molecular Formula: C8H12ClNO Molecular Weight (g/mol): 173.64 MDL Number: MFCD00142934 InChI Key: UDXXNWDSBJINMV-UHFFFAOYSA-N Synonym: alpha-Methylamino-o-cresol Hydrochloride, 2-(Methylaminomethyl)phenol Hydrochloride, N-Methyl-2-hydroxybenzylamine Hydrochloride PubChem CID: 44630388 IUPAC Name: 2-(methylaminomethyl)phenol;hydrochloride SMILES: CNCC1=CC=CC=C1O.Cl
| PubChem CID | 44630388 |
|---|---|
| CAS | 60399-02-2 |
| Molecular Weight (g/mol) | 173.64 |
| MDL Number | MFCD00142934 |
| SMILES | CNCC1=CC=CC=C1O.Cl |
| Synonym | alpha-Methylamino-o-cresol Hydrochloride, 2-(Methylaminomethyl)phenol Hydrochloride, N-Methyl-2-hydroxybenzylamine Hydrochloride |
| IUPAC Name | 2-(methylaminomethyl)phenol;hydrochloride |
| InChI Key | UDXXNWDSBJINMV-UHFFFAOYSA-N |
| Molecular Formula | C8H12ClNO |
Methyl N-Phenylcarbamate 98.0+%, TCI America™
CAS: 2603-10-3 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00027552 InChI Key: IAGUPODHENSJEZ-UHFFFAOYSA-N Synonym: N-Phenylcarbamic Acid Methyl Ester PubChem CID: 17451 IUPAC Name: methyl N-phenylcarbamate SMILES: COC(=O)NC1=CC=CC=C1
| PubChem CID | 17451 |
|---|---|
| CAS | 2603-10-3 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00027552 |
| SMILES | COC(=O)NC1=CC=CC=C1 |
| Synonym | N-Phenylcarbamic Acid Methyl Ester |
| IUPAC Name | methyl N-phenylcarbamate |
| InChI Key | IAGUPODHENSJEZ-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Tri(p-tolyl)phosphine 96.0+%, TCI America™
CAS: 1038-95-5 Molecular Formula: C21H21P Molecular Weight (g/mol): 304.37 MDL Number: MFCD00008542 InChI Key: WXAZIUYTQHYBFW-UHFFFAOYSA-N Synonym: tri-p-tolylphosphine,tris 4-methylphenyl phosphine,tri p-tolyl phosphine,phosphine, tris 4-methylphenyl,tri-para-tolylphosphine,tris p-tolyl phosphine,phosphine, tri-p-tolyl,tris 4-methylphenyl phosphane,phosphine, tris p-tolyl,tri-p-tolyl phosphine PubChem CID: 13956 IUPAC Name: tris(4-methylphenyl)phosphane SMILES: CC1=CC=C(C=C1)P(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1
| PubChem CID | 13956 |
|---|---|
| CAS | 1038-95-5 |
| Molecular Weight (g/mol) | 304.37 |
| MDL Number | MFCD00008542 |
| SMILES | CC1=CC=C(C=C1)P(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1 |
| Synonym | tri-p-tolylphosphine,tris 4-methylphenyl phosphine,tri p-tolyl phosphine,phosphine, tris 4-methylphenyl,tri-para-tolylphosphine,tris p-tolyl phosphine,phosphine, tri-p-tolyl,tris 4-methylphenyl phosphane,phosphine, tris p-tolyl,tri-p-tolyl phosphine |
| IUPAC Name | tris(4-methylphenyl)phosphane |
| InChI Key | WXAZIUYTQHYBFW-UHFFFAOYSA-N |
| Molecular Formula | C21H21P |