Benzene and substituted derivatives
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4-Chloro-2-methoxybenzyl alcohol, 97%, Thermo Scientific Chemicals
CAS: 90296-27-8 Molecular Formula: C8H9ClO2 Molecular Weight (g/mol): 172.61 MDL Number: MFCD02683547 InChI Key: AXXPZAITCCIOIA-UHFFFAOYSA-N Synonym: 4-chloro-2-methoxybenzyl alcohol,4-chloro-2-methoxyphenyl methanol,4-chloro-2-methoxy-phenyl-methanol,benzenemethanol, 4-chloro-2-methoxy,4-chloro-2-methoxybenzyl alcohol 97 PubChem CID: 3549393 IUPAC Name: (4-chloro-2-methoxyphenyl)methanol SMILES: COC1=C(CO)C=CC(Cl)=C1
| PubChem CID | 3549393 |
|---|---|
| CAS | 90296-27-8 |
| Molecular Weight (g/mol) | 172.61 |
| MDL Number | MFCD02683547 |
| SMILES | COC1=C(CO)C=CC(Cl)=C1 |
| Synonym | 4-chloro-2-methoxybenzyl alcohol,4-chloro-2-methoxyphenyl methanol,4-chloro-2-methoxy-phenyl-methanol,benzenemethanol, 4-chloro-2-methoxy,4-chloro-2-methoxybenzyl alcohol 97 |
| IUPAC Name | (4-chloro-2-methoxyphenyl)methanol |
| InChI Key | AXXPZAITCCIOIA-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO2 |
5-(4-Bromophenyl)isoxazole, 98%, Thermo Scientific Chemicals
CAS: 7064-31-5 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.057 MDL Number: MFCD02183532 InChI Key: AVMMSHZGFRWLRI-UHFFFAOYSA-N Synonym: 5-4-bromophenyl isoxazole,5-4-bromophenyl-1,2-oxazole,acmc-209ofh PubChem CID: 2735608 IUPAC Name: 5-(4-bromophenyl)-1,2-oxazole SMILES: C1=CC(=CC=C1C2=CC=NO2)Br
| PubChem CID | 2735608 |
|---|---|
| CAS | 7064-31-5 |
| Molecular Weight (g/mol) | 224.057 |
| MDL Number | MFCD02183532 |
| SMILES | C1=CC(=CC=C1C2=CC=NO2)Br |
| Synonym | 5-4-bromophenyl isoxazole,5-4-bromophenyl-1,2-oxazole,acmc-209ofh |
| IUPAC Name | 5-(4-bromophenyl)-1,2-oxazole |
| InChI Key | AVMMSHZGFRWLRI-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
Metoclopramide hydrochloride
CAS: 54143-57-6 Molecular Formula: C14H25Cl2N3O3 Molecular Weight (g/mol): 354.27 MDL Number: MFCD00150634 InChI Key: KJBLQGHJOCAOJP-UHFFFAOYSA-N PubChem CID: 441347 ChEBI: CHEBI:6899 IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrate hydrochloride SMILES: O.Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC
| PubChem CID | 441347 |
|---|---|
| CAS | 54143-57-6 |
| Molecular Weight (g/mol) | 354.27 |
| ChEBI | CHEBI:6899 |
| MDL Number | MFCD00150634 |
| SMILES | O.Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC |
| IUPAC Name | 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrate hydrochloride |
| InChI Key | KJBLQGHJOCAOJP-UHFFFAOYSA-N |
| Molecular Formula | C14H25Cl2N3O3 |
1,1-Dichlorodimethyl ether, 97%
CAS: 4885-02-3 Molecular Formula: C2H4Cl2O Molecular Weight (g/mol): 114.96 MDL Number: MFCD00000828 InChI Key: GRTGGSXWHGKRSB-UHFFFAOYSA-N SMILES: COC(Cl)Cl
| CAS | 4885-02-3 |
|---|---|
| Molecular Weight (g/mol) | 114.96 |
| MDL Number | MFCD00000828 |
| SMILES | COC(Cl)Cl |
| InChI Key | GRTGGSXWHGKRSB-UHFFFAOYSA-N |
| Molecular Formula | C2H4Cl2O |
3-Fluorophthalic acid, 97%
CAS: 1583-67-1 Molecular Formula: C8H5FO4 Molecular Weight (g/mol): 184.122 MDL Number: MFCD00039524 InChI Key: BBCQSMSCEJBIRD-UHFFFAOYSA-N Synonym: 3-fluorobenzene-1,2-dicarboxylic acid,3-fluoro-1,2-benzenedicarboxylic acid,1,2-benzenedicarboxylic acid, 3-fluoro,1,2-benzenedicarboxylic acid, fluoro,3-fluorophthalic,3-fluorophtalic acid,3-fluorophthatic acid,pubchem1405,3-fluorophthalicacid PubChem CID: 345381 IUPAC Name: 3-fluorophthalic acid SMILES: C1=CC(=C(C(=C1)F)C(=O)O)C(=O)O
| PubChem CID | 345381 |
|---|---|
| CAS | 1583-67-1 |
| Molecular Weight (g/mol) | 184.122 |
| MDL Number | MFCD00039524 |
| SMILES | C1=CC(=C(C(=C1)F)C(=O)O)C(=O)O |
| Synonym | 3-fluorobenzene-1,2-dicarboxylic acid,3-fluoro-1,2-benzenedicarboxylic acid,1,2-benzenedicarboxylic acid, 3-fluoro,1,2-benzenedicarboxylic acid, fluoro,3-fluorophthalic,3-fluorophtalic acid,3-fluorophthatic acid,pubchem1405,3-fluorophthalicacid |
| IUPAC Name | 3-fluorophthalic acid |
| InChI Key | BBCQSMSCEJBIRD-UHFFFAOYSA-N |
| Molecular Formula | C8H5FO4 |
3-Fluoro-4-nitrotoluene, 99%
CAS: 446-34-4 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.13 MDL Number: MFCD00007053 InChI Key: WZMOWQCNPFDWPA-UHFFFAOYSA-N Synonym: 3-fluoro-4-nitrotoluene,benzene, 2-fluoro-4-methyl-1-nitro,2-fluoro-4-methylnitrobenzene,2-fluoro-4-methyl-1-nitro-benzene,3-fluoro-4-nitrobenzene,2-fluor-4-methyl-1-nitrobenzol,pubchem1595,3-fluoro4-nitrotoluene,acmc-1alaq,3-fluoro-4-nitro toluene PubChem CID: 67966 IUPAC Name: 2-fluoro-4-methyl-1-nitrobenzene SMILES: CC1=CC=C(C(F)=C1)[N+]([O-])=O
| PubChem CID | 67966 |
|---|---|
| CAS | 446-34-4 |
| Molecular Weight (g/mol) | 155.13 |
| MDL Number | MFCD00007053 |
| SMILES | CC1=CC=C(C(F)=C1)[N+]([O-])=O |
| Synonym | 3-fluoro-4-nitrotoluene,benzene, 2-fluoro-4-methyl-1-nitro,2-fluoro-4-methylnitrobenzene,2-fluoro-4-methyl-1-nitro-benzene,3-fluoro-4-nitrobenzene,2-fluor-4-methyl-1-nitrobenzol,pubchem1595,3-fluoro4-nitrotoluene,acmc-1alaq,3-fluoro-4-nitro toluene |
| IUPAC Name | 2-fluoro-4-methyl-1-nitrobenzene |
| InChI Key | WZMOWQCNPFDWPA-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO2 |
[Hydroxy(tosyloxy)iodo]benzene, 97%
CAS: 27126-76-7 Molecular Formula: C13H13IO4S Molecular Weight (g/mol): 392.21 MDL Number: MFCD00011547 InChI Key: LRIUKPUCKCECPT-UHFFFAOYSA-N Synonym: hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide PubChem CID: 325434 IUPAC Name: [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O
| PubChem CID | 325434 |
|---|---|
| CAS | 27126-76-7 |
| Molecular Weight (g/mol) | 392.21 |
| MDL Number | MFCD00011547 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O |
| Synonym | hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide |
| IUPAC Name | [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate |
| InChI Key | LRIUKPUCKCECPT-UHFFFAOYSA-N |
| Molecular Formula | C13H13IO4S |
2-(Trifluoromethyl)benzaldehyde, 98%
CAS: 447-61-0 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.122 MDL Number: MFCD00003337 InChI Key: ZDVRPKUWYQVVDX-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzaldehyde,o-trifluoromethyl benzaldehyde,o-trifluoromethylbenzaldehyde,alpha,alpha,alpha-trifluoro-o-tolualdehyde,benzaldehyde, 2-trifluoromethyl,2-trifluoromethyl-benzaldehyde,ortho-trifluoromethyl-benzaldehyde,otf-bad,trifluoromethylbenzaldehyde PubChem CID: 123067 IUPAC Name: 2-(trifluoromethyl)benzaldehyde SMILES: C1=CC=C(C(=C1)C=O)C(F)(F)F
| PubChem CID | 123067 |
|---|---|
| CAS | 447-61-0 |
| Molecular Weight (g/mol) | 174.122 |
| MDL Number | MFCD00003337 |
| SMILES | C1=CC=C(C(=C1)C=O)C(F)(F)F |
| Synonym | 2-trifluoromethyl benzaldehyde,o-trifluoromethyl benzaldehyde,o-trifluoromethylbenzaldehyde,alpha,alpha,alpha-trifluoro-o-tolualdehyde,benzaldehyde, 2-trifluoromethyl,2-trifluoromethyl-benzaldehyde,ortho-trifluoromethyl-benzaldehyde,otf-bad,trifluoromethylbenzaldehyde |
| IUPAC Name | 2-(trifluoromethyl)benzaldehyde |
| InChI Key | ZDVRPKUWYQVVDX-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O |
3-(1,3-Thiazol-2-yl)benzaldehyde, 97%, Thermo Scientific™
CAS: 885465-97-4 Molecular Formula: C10H7NOS Molecular Weight (g/mol): 189.232 MDL Number: MFCD06797781 InChI Key: YJMGIEKCDQXKKZ-UHFFFAOYSA-N Synonym: 3-thiazol-2-yl-benzaldehyde,3-1,3-thiazol-2-yl benzaldehyde,3-thiazol-2-yl benzaldehyde,benzaldehyde,3-2-thiazolyl,benzaldehyde, 3-2-thiazolyl PubChem CID: 18525725 IUPAC Name: 3-(1,3-thiazol-2-yl)benzaldehyde SMILES: C1=CC(=CC(=C1)C=O)C2=NC=CS2
| PubChem CID | 18525725 |
|---|---|
| CAS | 885465-97-4 |
| Molecular Weight (g/mol) | 189.232 |
| MDL Number | MFCD06797781 |
| SMILES | C1=CC(=CC(=C1)C=O)C2=NC=CS2 |
| Synonym | 3-thiazol-2-yl-benzaldehyde,3-1,3-thiazol-2-yl benzaldehyde,3-thiazol-2-yl benzaldehyde,benzaldehyde,3-2-thiazolyl,benzaldehyde, 3-2-thiazolyl |
| IUPAC Name | 3-(1,3-thiazol-2-yl)benzaldehyde |
| InChI Key | YJMGIEKCDQXKKZ-UHFFFAOYSA-N |
| Molecular Formula | C10H7NOS |
4-Bromo-1-chloro-2-fluorobenzene, 98%
CAS: 60811-18-9 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.44 MDL Number: MFCD00042519 InChI Key: AGYWDGVTLKNTBS-UHFFFAOYSA-N Synonym: 1-bromo-4-chloro-3-fluorobenzene,3-fluoro-4-chlorobromobenzene,2-fluoro-4-bromochlorobenzene,2-chloro-5-bromofluorobenzene,4-chloro-3-fluorobromobenzene,5-bromo-2-chlorofluorobenzene,4-bromo-1-chloro-2-fluoro-benzene,4-bromo-2-fluorochlorobenzene,benzene, 4-bromo-1-chloro-2-fluoro,3-fluoro-4-chloro-bromobenzene PubChem CID: 2724690 IUPAC Name: 4-bromo-1-chloro-2-fluorobenzene SMILES: FC1=C(Cl)C=CC(Br)=C1
| PubChem CID | 2724690 |
|---|---|
| CAS | 60811-18-9 |
| Molecular Weight (g/mol) | 209.44 |
| MDL Number | MFCD00042519 |
| SMILES | FC1=C(Cl)C=CC(Br)=C1 |
| Synonym | 1-bromo-4-chloro-3-fluorobenzene,3-fluoro-4-chlorobromobenzene,2-fluoro-4-bromochlorobenzene,2-chloro-5-bromofluorobenzene,4-chloro-3-fluorobromobenzene,5-bromo-2-chlorofluorobenzene,4-bromo-1-chloro-2-fluoro-benzene,4-bromo-2-fluorochlorobenzene,benzene, 4-bromo-1-chloro-2-fluoro,3-fluoro-4-chloro-bromobenzene |
| IUPAC Name | 4-bromo-1-chloro-2-fluorobenzene |
| InChI Key | AGYWDGVTLKNTBS-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClF |
4-(Trifluoromethyl)benzaldehyde, 97%
CAS: 455-19-6 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.122 MDL Number: MFCD00006952 InChI Key: BEOBZEOPTQQELP-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzaldehyde,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde PubChem CID: 67996 IUPAC Name: 4-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC=C1C=O)C(F)(F)F
| PubChem CID | 67996 |
|---|---|
| CAS | 455-19-6 |
| Molecular Weight (g/mol) | 174.122 |
| MDL Number | MFCD00006952 |
| SMILES | C1=CC(=CC=C1C=O)C(F)(F)F |
| Synonym | 4-trifluoromethyl benzaldehyde,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde |
| IUPAC Name | 4-(trifluoromethyl)benzaldehyde |
| InChI Key | BEOBZEOPTQQELP-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O |
[1-(Phenylsulfonyl)-1H-indol-3-yl]methanol, ≥97%, Thermo Scientific™
CAS: 89241-33-8 Molecular Formula: C15H13NO3S Molecular Weight (g/mol): 287.333 MDL Number: MFCD02682024 InChI Key: ZMLXSFMIPYDHIN-UHFFFAOYSA-N Synonym: 1-phenylsulfonyl-1h-indol-3-yl methanol,1-benzenesulfonyl indol-3-yl methanol,1h-indole-3-methanol,1-phenylsulfonyl,1-benzenesulfonyl-1h-indol-3-yl methanol,acmc-20ljqe,1-benzenesulfonyl-1h-indol-3-ylmethanol,3-hydroxymethyl-n-phenylsulfonyl indole,1-phenylsulfonyl-1h-indole-3-methanol PubChem CID: 2776213 IUPAC Name: [1-(benzenesulfonyl)indol-3-yl]methanol SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CO
| PubChem CID | 2776213 |
|---|---|
| CAS | 89241-33-8 |
| Molecular Weight (g/mol) | 287.333 |
| MDL Number | MFCD02682024 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CO |
| Synonym | 1-phenylsulfonyl-1h-indol-3-yl methanol,1-benzenesulfonyl indol-3-yl methanol,1h-indole-3-methanol,1-phenylsulfonyl,1-benzenesulfonyl-1h-indol-3-yl methanol,acmc-20ljqe,1-benzenesulfonyl-1h-indol-3-ylmethanol,3-hydroxymethyl-n-phenylsulfonyl indole,1-phenylsulfonyl-1h-indole-3-methanol |
| IUPAC Name | [1-(benzenesulfonyl)indol-3-yl]methanol |
| InChI Key | ZMLXSFMIPYDHIN-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO3S |
6-Fluoro-2,3-dimethoxybenzoic acid, 95%
CAS: 265670-72-2 Molecular Formula: C9H9FO4 Molecular Weight (g/mol): 200.165 MDL Number: MFCD13193706 InChI Key: OXYSHPNWRGUQPS-UHFFFAOYSA-N Synonym: benzoic acid, 6-fluoro-2,3-dimethoxy,5,6-dimethoxy-2-fluorobenzoic acid,6-fluoro-2,3-dimethoxybenzoicacid,2,3-dimethoxy-6-fluorobenzoic acid,#,benzoicacid, 6-fluoro-2,3-dimethoxy,benzoic acid, 2-fluoro-5,6-dimethoxy PubChem CID: 608235 IUPAC Name: 6-fluoro-2,3-dimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)F)C(=O)O)OC
| PubChem CID | 608235 |
|---|---|
| CAS | 265670-72-2 |
| Molecular Weight (g/mol) | 200.165 |
| MDL Number | MFCD13193706 |
| SMILES | COC1=C(C(=C(C=C1)F)C(=O)O)OC |
| Synonym | benzoic acid, 6-fluoro-2,3-dimethoxy,5,6-dimethoxy-2-fluorobenzoic acid,6-fluoro-2,3-dimethoxybenzoicacid,2,3-dimethoxy-6-fluorobenzoic acid,#,benzoicacid, 6-fluoro-2,3-dimethoxy,benzoic acid, 2-fluoro-5,6-dimethoxy |
| IUPAC Name | 6-fluoro-2,3-dimethoxybenzoic acid |
| InChI Key | OXYSHPNWRGUQPS-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO4 |
4-Fluorophenethyl bromide, 97%
CAS: 332-42-3 Molecular Formula: C8H8BrF Molecular Weight (g/mol): 203.05 MDL Number: MFCD03844794 InChI Key: FLRUNCJXOVYWDH-UHFFFAOYSA-N Synonym: 1-2-bromoethyl-4-fluorobenzene,1-fluoro-4-2-bromoethyl benzene,4-fluorophenethyl bromide,2-4-fluorophenyl ethyl bromide,1-bromo-2-4-fluorophenyl ethane,2-4-fluorophenyl ethylbromide,4-fluorophenylethyl bromide,1-2-bromo-ethyl-4-fluoro-benzene,benzene, 1-2-bromoethyl-4-fluoro,1-2-bromoethyl-4-fluoro-benzene PubChem CID: 573153 IUPAC Name: 1-(2-bromoethyl)-4-fluorobenzene SMILES: FC1=CC=C(CCBr)C=C1
| PubChem CID | 573153 |
|---|---|
| CAS | 332-42-3 |
| Molecular Weight (g/mol) | 203.05 |
| MDL Number | MFCD03844794 |
| SMILES | FC1=CC=C(CCBr)C=C1 |
| Synonym | 1-2-bromoethyl-4-fluorobenzene,1-fluoro-4-2-bromoethyl benzene,4-fluorophenethyl bromide,2-4-fluorophenyl ethyl bromide,1-bromo-2-4-fluorophenyl ethane,2-4-fluorophenyl ethylbromide,4-fluorophenylethyl bromide,1-2-bromo-ethyl-4-fluoro-benzene,benzene, 1-2-bromoethyl-4-fluoro,1-2-bromoethyl-4-fluoro-benzene |
| IUPAC Name | 1-(2-bromoethyl)-4-fluorobenzene |
| InChI Key | FLRUNCJXOVYWDH-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrF |