Benzenoids
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2-Bromobenzyl Mercaptan 98.0+%, TCI America™
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CAS: 143888-85-1 Molecular Formula: C7H7BrS Molecular Weight (g/mol): 203.10 MDL Number: MFCD04038925 InChI Key: UJNSDLRPHRMVGZ-UHFFFAOYSA-N Synonym: 2-bromobenzyl mercaptan,2-bromobenzylmercaptan,2-bromophenyl methanethiol,o-bromobenzyl hydrosulfide,2-bromobenzylthiol,2-bromophenyl methane-1-thiol,2-bromobenzyl,2-bromobenzyl mercap,pubchem6847 PubChem CID: 2773673 IUPAC Name: (2-bromophenyl)methanethiol SMILES: SCC1=CC=CC=C1Br
| PubChem CID | 2773673 |
|---|---|
| CAS | 143888-85-1 |
| Molecular Weight (g/mol) | 203.10 |
| MDL Number | MFCD04038925 |
| SMILES | SCC1=CC=CC=C1Br |
| Synonym | 2-bromobenzyl mercaptan,2-bromobenzylmercaptan,2-bromophenyl methanethiol,o-bromobenzyl hydrosulfide,2-bromobenzylthiol,2-bromophenyl methane-1-thiol,2-bromobenzyl,2-bromobenzyl mercap,pubchem6847 |
| IUPAC Name | (2-bromophenyl)methanethiol |
| InChI Key | UJNSDLRPHRMVGZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrS |
2,3-Dimethylbenzaldehyde 96.0+%, TCI America™
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CAS: 5779-93-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00798004 InChI Key: UIFVCPMLQXKEEU-UHFFFAOYSA-N Synonym: benzaldehyde, dimethyl,hemellitaldehyde,dimethylbenzaldehyde,o-xylene-3-carboxaldehyde,dimethylformylbenzene,xylene-formaldehyde,pubchem3080,acmc-1ake8,2,3-dimethyl-benzaldehyde,2,3-dimethyl benzaldehyde PubChem CID: 34224 IUPAC Name: 2,3-dimethylbenzaldehyde SMILES: CC1=CC=CC(=C1C)C=O
| PubChem CID | 34224 |
|---|---|
| CAS | 5779-93-1 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00798004 |
| SMILES | CC1=CC=CC(=C1C)C=O |
| Synonym | benzaldehyde, dimethyl,hemellitaldehyde,dimethylbenzaldehyde,o-xylene-3-carboxaldehyde,dimethylformylbenzene,xylene-formaldehyde,pubchem3080,acmc-1ake8,2,3-dimethyl-benzaldehyde,2,3-dimethyl benzaldehyde |
| IUPAC Name | 2,3-dimethylbenzaldehyde |
| InChI Key | UIFVCPMLQXKEEU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
3,5-Dimethoxybenzyl Alcohol 98.0+%, TCI America™
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CAS: 705-76-0 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00004641 InChI Key: AUDBREYGQOXIFT-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzyl alcohol,3,5-dimethoxyphenyl methanol,3,5-dimethoxybenzylalcohol,benzenemethanol, 3,5-dimethoxy,3,5-dimethoxy benzyl alcohol,3,5-dimethoxyphenyl methan-1-ol,3,5-dimethoxybenzyl alcohole,pubchem7732,3,5-dimethoxy-benzylalcohol,3,5-dimethoxy benzylalcohol PubChem CID: 69718 IUPAC Name: (3,5-dimethoxyphenyl)methanol SMILES: COC1=CC(OC)=CC(CO)=C1
| PubChem CID | 69718 |
|---|---|
| CAS | 705-76-0 |
| Molecular Weight (g/mol) | 168.19 |
| MDL Number | MFCD00004641 |
| SMILES | COC1=CC(OC)=CC(CO)=C1 |
| Synonym | 3,5-dimethoxybenzyl alcohol,3,5-dimethoxyphenyl methanol,3,5-dimethoxybenzylalcohol,benzenemethanol, 3,5-dimethoxy,3,5-dimethoxy benzyl alcohol,3,5-dimethoxyphenyl methan-1-ol,3,5-dimethoxybenzyl alcohole,pubchem7732,3,5-dimethoxy-benzylalcohol,3,5-dimethoxy benzylalcohol |
| IUPAC Name | (3,5-dimethoxyphenyl)methanol |
| InChI Key | AUDBREYGQOXIFT-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
Ethyl 3-(Trifluoromethyl)phenoxyacetate 95.0+%, TCI America™
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CAS: 22897-99-0 Molecular Formula: C11H11F3O3 Molecular Weight (g/mol): 248.20 MDL Number: MFCD03943910 InChI Key: LEKNNERDFCDITP-UHFFFAOYSA-N Synonym: 3-(Trifluoromethyl)phenoxyacetic Acid Ethyl Ester PubChem CID: 4507464 IUPAC Name: ethyl 2-[3-(trifluoromethyl)phenoxy]acetate SMILES: CCOC(=O)COC1=CC=CC(=C1)C(F)(F)F
| PubChem CID | 4507464 |
|---|---|
| CAS | 22897-99-0 |
| Molecular Weight (g/mol) | 248.20 |
| MDL Number | MFCD03943910 |
| SMILES | CCOC(=O)COC1=CC=CC(=C1)C(F)(F)F |
| Synonym | 3-(Trifluoromethyl)phenoxyacetic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-[3-(trifluoromethyl)phenoxy]acetate |
| InChI Key | LEKNNERDFCDITP-UHFFFAOYSA-N |
| Molecular Formula | C11H11F3O3 |
(R)-1-Phenyl-1,2-ethanediyl Bis[4-(trans-4-pentylcyclohexyl)benzoate] 98.0+%, TCI America™
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CAS: 154102-21-3 Molecular Formula: C44H58O4 Molecular Weight (g/mol): 650.944 MDL Number: MFCD26961137 InChI Key: KTIVHFRVDVVCHK-BAFIUCHISA-N PubChem CID: 57719999 IUPAC Name: [(2R)-2-[4-(4-pentylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OCC(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C5CCC(CC5)CCCCC
| PubChem CID | 57719999 |
|---|---|
| CAS | 154102-21-3 |
| Molecular Weight (g/mol) | 650.944 |
| MDL Number | MFCD26961137 |
| SMILES | CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OCC(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)C5CCC(CC5)CCCCC |
| IUPAC Name | [(2R)-2-[4-(4-pentylcyclohexyl)benzoyl]oxy-2-phenylethyl] 4-(4-pentylcyclohexyl)benzoate |
| InChI Key | KTIVHFRVDVVCHK-BAFIUCHISA-N |
| Molecular Formula | C44H58O4 |
3,4-Dimethylphenol 98.0+%, TCI America™
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CAS: 95-65-8 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002304 InChI Key: YCOXTKKNXUZSKD-UHFFFAOYSA-N Synonym: 3,4-xylenol,phenol, 3,4-dimethyl,4,5-dimethylphenol,3,4-dimethyl phenol,1,3,4-xylenol,4-hydroxy-1,2-dimethylbenzene,1-hydroxy-3,4-dimethylbenzene,3,4-dimethyl-phenol,3,4-dmp,ccris 723 PubChem CID: 7249 ChEBI: CHEBI:39839 IUPAC Name: 3,4-dimethylphenol SMILES: CC1=CC=C(O)C=C1C
| PubChem CID | 7249 |
|---|---|
| CAS | 95-65-8 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:39839 |
| MDL Number | MFCD00002304 |
| SMILES | CC1=CC=C(O)C=C1C |
| Synonym | 3,4-xylenol,phenol, 3,4-dimethyl,4,5-dimethylphenol,3,4-dimethyl phenol,1,3,4-xylenol,4-hydroxy-1,2-dimethylbenzene,1-hydroxy-3,4-dimethylbenzene,3,4-dimethyl-phenol,3,4-dmp,ccris 723 |
| IUPAC Name | 3,4-dimethylphenol |
| InChI Key | YCOXTKKNXUZSKD-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
2,5-Dibromobenzotrifluoride 98.0+%, TCI America™
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CAS: 7657-09-2 Molecular Formula: C7H3Br2F3 Molecular Weight (g/mol): 303.90 MDL Number: MFCD00013554 InChI Key: VWKFJAOCLPPQGR-UHFFFAOYSA-N Synonym: 1,4-dibromo-2-trifluoromethyl benzene,2,5-dibromobenzotrifluoride,benzene, 1,4-dibromo-2-trifluoromethyl,2,5-dibromo trifluoromethyl benzene,1,4-dibromo-2-trifluoromethyl-benzene,toluene, 2,5-dibromo-alpha,alpha,alpha-trifluoro,pubchem9537,2,5-dibromobenzotrifloride,2,5-dibromo-, ,-trifluorotoluene PubChem CID: 82108 IUPAC Name: 1,4-dibromo-2-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC(Br)=CC=C1Br
| PubChem CID | 82108 |
|---|---|
| CAS | 7657-09-2 |
| Molecular Weight (g/mol) | 303.90 |
| MDL Number | MFCD00013554 |
| SMILES | FC(F)(F)C1=CC(Br)=CC=C1Br |
| Synonym | 1,4-dibromo-2-trifluoromethyl benzene,2,5-dibromobenzotrifluoride,benzene, 1,4-dibromo-2-trifluoromethyl,2,5-dibromo trifluoromethyl benzene,1,4-dibromo-2-trifluoromethyl-benzene,toluene, 2,5-dibromo-alpha,alpha,alpha-trifluoro,pubchem9537,2,5-dibromobenzotrifloride,2,5-dibromo-, ,-trifluorotoluene |
| IUPAC Name | 1,4-dibromo-2-(trifluoromethyl)benzene |
| InChI Key | VWKFJAOCLPPQGR-UHFFFAOYSA-N |
| Molecular Formula | C7H3Br2F3 |
4-Chloro-2-methoxybenzoic Acid 98.0+%, TCI America™
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CAS: 57479-70-6 Molecular Formula: C8H6ClO3 Molecular Weight (g/mol): 185.58 MDL Number: MFCD00002532 InChI Key: UFEYMXHWIHFRBX-UHFFFAOYSA-M Synonym: 4-chloro-o-anisic acid,2-methoxy-4-chlorobenzoic acid,4-chloro-2-methoxy-benzoic acid,4-chloro-2-methoxybenzoicacid,benzoic acid, 4-chloro-2-methoxy,4-chloro-ortho-anisic acid,2-methoxy-4-chloro benzoic acid,acmc-1axaj,4-chloro-2-anisic acid,ksc494s8r PubChem CID: 93682 IUPAC Name: 4-chloro-2-methoxybenzoate SMILES: COC1=CC(Cl)=CC=C1C([O-])=O
| PubChem CID | 93682 |
|---|---|
| CAS | 57479-70-6 |
| Molecular Weight (g/mol) | 185.58 |
| MDL Number | MFCD00002532 |
| SMILES | COC1=CC(Cl)=CC=C1C([O-])=O |
| Synonym | 4-chloro-o-anisic acid,2-methoxy-4-chlorobenzoic acid,4-chloro-2-methoxy-benzoic acid,4-chloro-2-methoxybenzoicacid,benzoic acid, 4-chloro-2-methoxy,4-chloro-ortho-anisic acid,2-methoxy-4-chloro benzoic acid,acmc-1axaj,4-chloro-2-anisic acid,ksc494s8r |
| IUPAC Name | 4-chloro-2-methoxybenzoate |
| InChI Key | UFEYMXHWIHFRBX-UHFFFAOYSA-M |
| Molecular Formula | C8H6ClO3 |
Vanillin Acetate 98.0+%, TCI America™
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CAS: 881-68-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00003362 InChI Key: PZSJOBKRSVRODF-UHFFFAOYSA-N Synonym: vanillin acetate,4-acetoxy-3-methoxybenzaldehyde,acetovanillin,acetylvanillin,vanillin, acetate,4-o-acetylvanillin,o-acetylvanillin,benzaldehyde, 4-acetyloxy-3-methoxy,3-methoxy-4-acetoxybenzaldehyde,acetyl vanillin PubChem CID: 61229 ChEBI: CHEBI:86956 IUPAC Name: (4-formyl-2-methoxyphenyl) acetate SMILES: CC(=O)OC1=C(C=C(C=C1)C=O)OC
| PubChem CID | 61229 |
|---|---|
| CAS | 881-68-5 |
| Molecular Weight (g/mol) | 194.186 |
| ChEBI | CHEBI:86956 |
| MDL Number | MFCD00003362 |
| SMILES | CC(=O)OC1=C(C=C(C=C1)C=O)OC |
| Synonym | vanillin acetate,4-acetoxy-3-methoxybenzaldehyde,acetovanillin,acetylvanillin,vanillin, acetate,4-o-acetylvanillin,o-acetylvanillin,benzaldehyde, 4-acetyloxy-3-methoxy,3-methoxy-4-acetoxybenzaldehyde,acetyl vanillin |
| IUPAC Name | (4-formyl-2-methoxyphenyl) acetate |
| InChI Key | PZSJOBKRSVRODF-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
2,5-Dimethoxyaniline 98.0+%, TCI America™
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CAS: 102-56-7 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00008368 InChI Key: NAZDVUBIEPVUKE-UHFFFAOYSA-N Synonym: benzenamine, 2,5-dimethoxy,aminohydroquinone dimethyl ether,1-amino-2,5-dimethoxybenzene,2,5-dimethoxybenzenamine,aniline, 2,5-dimethoxy,unii-v3z5u3fl10,2,5 dimethoxyaniline,2,5-dimethoxyphenylamine,dimethoxyaniline 2,5-,2,5-dimethoxy aniline PubChem CID: 7613 IUPAC Name: 2,5-dimethoxyaniline SMILES: COC1=CC=C(OC)C(N)=C1
| PubChem CID | 7613 |
|---|---|
| CAS | 102-56-7 |
| Molecular Weight (g/mol) | 153.18 |
| MDL Number | MFCD00008368 |
| SMILES | COC1=CC=C(OC)C(N)=C1 |
| Synonym | benzenamine, 2,5-dimethoxy,aminohydroquinone dimethyl ether,1-amino-2,5-dimethoxybenzene,2,5-dimethoxybenzenamine,aniline, 2,5-dimethoxy,unii-v3z5u3fl10,2,5 dimethoxyaniline,2,5-dimethoxyphenylamine,dimethoxyaniline 2,5-,2,5-dimethoxy aniline |
| IUPAC Name | 2,5-dimethoxyaniline |
| InChI Key | NAZDVUBIEPVUKE-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |
4-Propoxyphthalonitrile 95.0+%, TCI America™
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CAS: 106144-18-7 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 MDL Number: MFCD00059102 InChI Key: RDLZRCSOLOTEPK-UHFFFAOYSA-N Synonym: 1,2-Dicyano-4-propoxybenzene PubChem CID: 588896 IUPAC Name: 4-propoxybenzene-1,2-dicarbonitrile SMILES: CCCOC1=CC(=C(C=C1)C#N)C#N
| PubChem CID | 588896 |
|---|---|
| CAS | 106144-18-7 |
| Molecular Weight (g/mol) | 186.214 |
| MDL Number | MFCD00059102 |
| SMILES | CCCOC1=CC(=C(C=C1)C#N)C#N |
| Synonym | 1,2-Dicyano-4-propoxybenzene |
| IUPAC Name | 4-propoxybenzene-1,2-dicarbonitrile |
| InChI Key | RDLZRCSOLOTEPK-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
5-Bromo-2-methoxybenzoic Acid 98.0+%, TCI America™
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CAS: 2476-35-9 Molecular Formula: C8H6BrO3 Molecular Weight (g/mol): 230.04 MDL Number: MFCD00093713 InChI Key: JFDUXZIRWBYBAQ-UHFFFAOYSA-M Synonym: 5-Bromo-o-anisic Acid PubChem CID: 881739 IUPAC Name: 5-bromo-2-methoxybenzoate SMILES: COC1=CC=C(Br)C=C1C([O-])=O
| PubChem CID | 881739 |
|---|---|
| CAS | 2476-35-9 |
| Molecular Weight (g/mol) | 230.04 |
| MDL Number | MFCD00093713 |
| SMILES | COC1=CC=C(Br)C=C1C([O-])=O |
| Synonym | 5-Bromo-o-anisic Acid |
| IUPAC Name | 5-bromo-2-methoxybenzoate |
| InChI Key | JFDUXZIRWBYBAQ-UHFFFAOYSA-M |
| Molecular Formula | C8H6BrO3 |
3-Chlorobenzoyl Chloride 98.0+%, TCI America™
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CAS: 618-46-2 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00000671 InChI Key: WHIHIKVIWVIIER-UHFFFAOYSA-N Synonym: m-chlorobenzoyl chloride,benzoyl chloride, 3-chloro,benzoyl chloride, m-chloro,m-chlorobenzoylchloride,3-chlorobenzoylchloride,benzoylchloride, 3-chloro,mcoc,3-chlorobenzoic acid chloride,ccris 8615,3chlorobenzoyl chloride PubChem CID: 69252 IUPAC Name: 3-chlorobenzoyl chloride SMILES: ClC(=O)C1=CC=CC(Cl)=C1
| PubChem CID | 69252 |
|---|---|
| CAS | 618-46-2 |
| Molecular Weight (g/mol) | 175.01 |
| MDL Number | MFCD00000671 |
| SMILES | ClC(=O)C1=CC=CC(Cl)=C1 |
| Synonym | m-chlorobenzoyl chloride,benzoyl chloride, 3-chloro,benzoyl chloride, m-chloro,m-chlorobenzoylchloride,3-chlorobenzoylchloride,benzoylchloride, 3-chloro,mcoc,3-chlorobenzoic acid chloride,ccris 8615,3chlorobenzoyl chloride |
| IUPAC Name | 3-chlorobenzoyl chloride |
| InChI Key | WHIHIKVIWVIIER-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
4-(2-Methoxyethyl)phenol 98.0+%, TCI America™
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CAS: 56718-71-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00017537 InChI Key: FAYGEALAEQKPDI-UHFFFAOYSA-N Synonym: 4-2-methoxyethyl phenol,p-2-methoxyethyl phenol,phenol, 4-2-methoxyethyl,4-methoxyethylphenol,unii-py1w0akw8i,metoprolol impurity b,metoprolol impurity i,py1w0akw8i,4-hydroxyphenylethyl methyl ether PubChem CID: 92516 IUPAC Name: 4-(2-methoxyethyl)phenol SMILES: COCCC1=CC=C(C=C1)O
| PubChem CID | 92516 |
|---|---|
| CAS | 56718-71-9 |
| Molecular Weight (g/mol) | 152.193 |
| MDL Number | MFCD00017537 |
| SMILES | COCCC1=CC=C(C=C1)O |
| Synonym | 4-2-methoxyethyl phenol,p-2-methoxyethyl phenol,phenol, 4-2-methoxyethyl,4-methoxyethylphenol,unii-py1w0akw8i,metoprolol impurity b,metoprolol impurity i,py1w0akw8i,4-hydroxyphenylethyl methyl ether |
| IUPAC Name | 4-(2-methoxyethyl)phenol |
| InChI Key | FAYGEALAEQKPDI-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
Tris(4-methoxyphenyl)phosphine 97.0+%, TCI America™
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CAS: 855-38-9 Molecular Formula: C21H21O3P Molecular Weight (g/mol): 352.37 MDL Number: MFCD00014896 InChI Key: UYUUAUOYLFIRJG-UHFFFAOYSA-N Synonym: tris 4-methoxyphenyl phosphine,trianisylphosphine,tris p-anisyl phosphine,phosphine, tris 4-methoxyphenyl,tri-p-anisylphosphine,tris p-methoxyphenyl phosphine,tris 4-methoxyphenyl phosphane,phosphine, tris p-methoxyphenyl,tri 4-methoxyphenyl phosphine,tri p-methoxyphenyl phosphine PubChem CID: 70071 IUPAC Name: tris(4-methoxyphenyl)phosphane SMILES: COC1=CC=C(C=C1)P(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
| PubChem CID | 70071 |
|---|---|
| CAS | 855-38-9 |
| Molecular Weight (g/mol) | 352.37 |
| MDL Number | MFCD00014896 |
| SMILES | COC1=CC=C(C=C1)P(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC |
| Synonym | tris 4-methoxyphenyl phosphine,trianisylphosphine,tris p-anisyl phosphine,phosphine, tris 4-methoxyphenyl,tri-p-anisylphosphine,tris p-methoxyphenyl phosphine,tris 4-methoxyphenyl phosphane,phosphine, tris p-methoxyphenyl,tri 4-methoxyphenyl phosphine,tri p-methoxyphenyl phosphine |
| IUPAC Name | tris(4-methoxyphenyl)phosphane |
| InChI Key | UYUUAUOYLFIRJG-UHFFFAOYSA-N |
| Molecular Formula | C21H21O3P |