Benzene and substituted derivatives
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3,4-Difluoroaniline 98.0+%, TCI America™
CAS: 3863-11-4 Molecular Formula: C6H5F2N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00007761 InChI Key: AXNUZKSSQHTNPZ-UHFFFAOYSA-N Synonym: 3,4-difluorobenzenamine,benzenamine, 3,4-difluoro,3,4-difluoro-phenylamine,3,4-difluorophenyl amine,3,4-difluoro aniline,3,4-difluorophenylamine,3,4-difluoranilin,3,4-difloroaniline,3,4-difluroaniline,3.4-difluoroaniline PubChem CID: 77469 IUPAC Name: 3,4-difluoroaniline SMILES: C1=CC(=C(C=C1N)F)F
| PubChem CID | 77469 |
|---|---|
| CAS | 3863-11-4 |
| Molecular Weight (g/mol) | 129.11 |
| MDL Number | MFCD00007761 |
| SMILES | C1=CC(=C(C=C1N)F)F |
| Synonym | 3,4-difluorobenzenamine,benzenamine, 3,4-difluoro,3,4-difluoro-phenylamine,3,4-difluorophenyl amine,3,4-difluoro aniline,3,4-difluorophenylamine,3,4-difluoranilin,3,4-difloroaniline,3,4-difluroaniline,3.4-difluoroaniline |
| IUPAC Name | 3,4-difluoroaniline |
| InChI Key | AXNUZKSSQHTNPZ-UHFFFAOYSA-N |
| Molecular Formula | C6H5F2N |
2,5-Dichlorobenzotrifluoride 98.0+%, TCI America™
CAS: 320-50-3 Molecular Formula: C7H3Cl2F3 Molecular Weight (g/mol): 214.996 MDL Number: MFCD00000608 InChI Key: DYBYUWVMLBBEMA-UHFFFAOYSA-N Synonym: 2,5-dichlorobenzotrifluoride,1,4-dichloro-2-trifluoromethyl benzene,benzene, 1,4-dichloro-2-trifluoromethyl,2,5-dichloro-alpha,alpha,alpha-trifluorotoluene,2,5-dichloro-a,a,a-trifluorotoluene,toluene, 2,5-dichloro-alpha,alpha,alpha-trifluoro-6ci,7ci,8ci,pubchem3450,ksc925c7r,2,5-dichloro trifluoromethylbenzene PubChem CID: 35360 IUPAC Name: 1,4-dichloro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1Cl)C(F)(F)F)Cl
| PubChem CID | 35360 |
|---|---|
| CAS | 320-50-3 |
| Molecular Weight (g/mol) | 214.996 |
| MDL Number | MFCD00000608 |
| SMILES | C1=CC(=C(C=C1Cl)C(F)(F)F)Cl |
| Synonym | 2,5-dichlorobenzotrifluoride,1,4-dichloro-2-trifluoromethyl benzene,benzene, 1,4-dichloro-2-trifluoromethyl,2,5-dichloro-alpha,alpha,alpha-trifluorotoluene,2,5-dichloro-a,a,a-trifluorotoluene,toluene, 2,5-dichloro-alpha,alpha,alpha-trifluoro-6ci,7ci,8ci,pubchem3450,ksc925c7r,2,5-dichloro trifluoromethylbenzene |
| IUPAC Name | 1,4-dichloro-2-(trifluoromethyl)benzene |
| InChI Key | DYBYUWVMLBBEMA-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl2F3 |
3,5-Dimethoxybenzoic Acid 98.0+%, TCI America™
CAS: 1132-21-4 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002502 InChI Key: IWPZKOJSYQZABD-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-dimethoxy,unii-38my78eckk,3,5-dimethoxy benzoic acid,38my78eckk,pubchem3121,3,5-dimethoxybenzoicacid,acmc-1c4zl,3,5-dimethoxy-benzoic acid,ksc176m0p,benzoicacid, 3,5-dimethoxy PubChem CID: 14332 IUPAC Name: 3,5-dimethoxybenzoic acid SMILES: COC1=CC(=CC(OC)=C1)C(O)=O
| PubChem CID | 14332 |
|---|---|
| CAS | 1132-21-4 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00002502 |
| SMILES | COC1=CC(=CC(OC)=C1)C(O)=O |
| Synonym | benzoic acid, 3,5-dimethoxy,unii-38my78eckk,3,5-dimethoxy benzoic acid,38my78eckk,pubchem3121,3,5-dimethoxybenzoicacid,acmc-1c4zl,3,5-dimethoxy-benzoic acid,ksc176m0p,benzoicacid, 3,5-dimethoxy |
| IUPAC Name | 3,5-dimethoxybenzoic acid |
| InChI Key | IWPZKOJSYQZABD-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
4,4'-Dihydroxydiphenyl Ether 98.0+%, TCI America™
CAS: 1965-09-9 Molecular Formula: C12H10O3 Molecular Weight (g/mol): 202.21 MDL Number: MFCD00016463 InChI Key: NZGQHKSLKRFZFL-UHFFFAOYSA-N Synonym: 4,4'-oxydiphenol,4,4'-dihydroxydiphenyl ether,phenol, 4,4'-oxybis,4-4-hydroxyphenoxy phenol,p,p'-oxydiphenol,phenol, 4,4'-oxydi,p,p'-oxybisphenol,4,4'-oxybisphenol,bis 4-hydroxyphenyl ether,unii-7l83kgh26s PubChem CID: 16069 IUPAC Name: 4-(4-hydroxyphenoxy)phenol SMILES: C1=CC(=CC=C1O)OC2=CC=C(C=C2)O
| PubChem CID | 16069 |
|---|---|
| CAS | 1965-09-9 |
| Molecular Weight (g/mol) | 202.21 |
| MDL Number | MFCD00016463 |
| SMILES | C1=CC(=CC=C1O)OC2=CC=C(C=C2)O |
| Synonym | 4,4'-oxydiphenol,4,4'-dihydroxydiphenyl ether,phenol, 4,4'-oxybis,4-4-hydroxyphenoxy phenol,p,p'-oxydiphenol,phenol, 4,4'-oxydi,p,p'-oxybisphenol,4,4'-oxybisphenol,bis 4-hydroxyphenyl ether,unii-7l83kgh26s |
| IUPAC Name | 4-(4-hydroxyphenoxy)phenol |
| InChI Key | NZGQHKSLKRFZFL-UHFFFAOYSA-N |
| Molecular Formula | C12H10O3 |
4-(Dimethylamino)benzophenone 98.0+%, TCI America™
CAS: 530-44-9 Molecular Formula: C15H15NO Molecular Weight (g/mol): 225.291 MDL Number: MFCD00008311 InChI Key: BEUGBYXJXMVRFO-UHFFFAOYSA-N Synonym: 4-dimethylamino benzophenone,4-dimethylaminobenzophenone,p-dimethylaminobenzophenone,p-benzoyl-n,n-dimethylaniline,4-n,n-dimethylaminobenzophenone,p-dimethylamino benzophenone,4-dimethylamino phenyl phenyl methanone,4-benzoyl-n,n-dimethylaniline,methanone, 4-dimethylamino phenyl phenyl,benzophenone, 4-dimethylamino PubChem CID: 10737 IUPAC Name: [4-(dimethylamino)phenyl]-phenylmethanone SMILES: CN(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 10737 |
|---|---|
| CAS | 530-44-9 |
| Molecular Weight (g/mol) | 225.291 |
| MDL Number | MFCD00008311 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| Synonym | 4-dimethylamino benzophenone,4-dimethylaminobenzophenone,p-dimethylaminobenzophenone,p-benzoyl-n,n-dimethylaniline,4-n,n-dimethylaminobenzophenone,p-dimethylamino benzophenone,4-dimethylamino phenyl phenyl methanone,4-benzoyl-n,n-dimethylaniline,methanone, 4-dimethylamino phenyl phenyl,benzophenone, 4-dimethylamino |
| IUPAC Name | [4-(dimethylamino)phenyl]-phenylmethanone |
| InChI Key | BEUGBYXJXMVRFO-UHFFFAOYSA-N |
| Molecular Formula | C15H15NO |
2-Chloro-3-nitrotoluene 98.0+%, TCI America™
CAS: 3970-40-9 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00134653 InChI Key: XTSGZXRUCAWXKY-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrotoluene,2-chloro-3-methylnitrobenzene,2-chloro-3-nitro toluene,benzene, 2-chloro-1-methyl-3-nitro,chloronitrotoluene,ksc493s7b,2-?chloro-?3-?nitrotoluene PubChem CID: 77591 IUPAC Name: 2-chloro-1-methyl-3-nitrobenzene SMILES: CC1=CC=CC(=C1Cl)[N+]([O-])=O
| PubChem CID | 77591 |
|---|---|
| CAS | 3970-40-9 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00134653 |
| SMILES | CC1=CC=CC(=C1Cl)[N+]([O-])=O |
| Synonym | 2-chloro-3-nitrotoluene,2-chloro-3-methylnitrobenzene,2-chloro-3-nitro toluene,benzene, 2-chloro-1-methyl-3-nitro,chloronitrotoluene,ksc493s7b,2-?chloro-?3-?nitrotoluene |
| IUPAC Name | 2-chloro-1-methyl-3-nitrobenzene |
| InChI Key | XTSGZXRUCAWXKY-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
N'-Isopropylidene-2-nitrobenzenesulfonohydrazide 98.0+%, TCI America™
CAS: 6655-27-2 Molecular Formula: C9H11N3O4S Molecular Weight (g/mol): 257.264 MDL Number: MFCD09800525 InChI Key: SBNYNTYNEJTMQO-UHFFFAOYSA-N Synonym: IPNBSH PubChem CID: 11974266 SMILES: CC(=NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C
| PubChem CID | 11974266 |
|---|---|
| CAS | 6655-27-2 |
| Molecular Weight (g/mol) | 257.264 |
| MDL Number | MFCD09800525 |
| SMILES | CC(=NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C |
| Synonym | IPNBSH |
| InChI Key | SBNYNTYNEJTMQO-UHFFFAOYSA-N |
| Molecular Formula | C9H11N3O4S |
alpha,alpha'-Dibromo-p-xylene 98.0+%, TCI America™
CAS: 623-24-5 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 MDL Number: MFCD00000182 InChI Key: RBZMSGOBSOCYHR-UHFFFAOYSA-N Synonym: 1,4-bis bromomethyl benzene,p-xylylene dibromide,alpha,alpha'-dibromo-p-xylene,benzene, 1,4-bis bromomethyl,p-xylylene bromide,p-bromomethyl benzene,1,4-dibromomethylbenzene,p-bis bromomethyl benzene,1,4-bis-bromomethyl-benzene,ccris 1775 PubChem CID: 69335 IUPAC Name: 1,4-bis(bromomethyl)benzene SMILES: C1=CC(=CC=C1CBr)CBr
| PubChem CID | 69335 |
|---|---|
| CAS | 623-24-5 |
| Molecular Weight (g/mol) | 263.96 |
| MDL Number | MFCD00000182 |
| SMILES | C1=CC(=CC=C1CBr)CBr |
| Synonym | 1,4-bis bromomethyl benzene,p-xylylene dibromide,alpha,alpha'-dibromo-p-xylene,benzene, 1,4-bis bromomethyl,p-xylylene bromide,p-bromomethyl benzene,1,4-dibromomethylbenzene,p-bis bromomethyl benzene,1,4-bis-bromomethyl-benzene,ccris 1775 |
| IUPAC Name | 1,4-bis(bromomethyl)benzene |
| InChI Key | RBZMSGOBSOCYHR-UHFFFAOYSA-N |
| Molecular Formula | C8H8Br2 |
2-Chloro-4-methoxytoluene 95.0+%, TCI America™
CAS: 54788-38-4 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00087376 InChI Key: ZMZVVVASCILFJL-UHFFFAOYSA-N Synonym: 3-chloro-4-methylanisole,2-chloro-4-methoxytoluene,2-chloro-4-methoxy-1-methyl-benzene,benzene, 2-chloro-4-methoxy-1-methyl,pubchem4101,acmc-209xb6,ksc602k7p,benzene,2-chloro-4-methoxy-1-methyl PubChem CID: 6951757 IUPAC Name: 2-chloro-4-methoxy-1-methylbenzene SMILES: CC1=C(C=C(C=C1)OC)Cl
| PubChem CID | 6951757 |
|---|---|
| CAS | 54788-38-4 |
| Molecular Weight (g/mol) | 156.609 |
| MDL Number | MFCD00087376 |
| SMILES | CC1=C(C=C(C=C1)OC)Cl |
| Synonym | 3-chloro-4-methylanisole,2-chloro-4-methoxytoluene,2-chloro-4-methoxy-1-methyl-benzene,benzene, 2-chloro-4-methoxy-1-methyl,pubchem4101,acmc-209xb6,ksc602k7p,benzene,2-chloro-4-methoxy-1-methyl |
| IUPAC Name | 2-chloro-4-methoxy-1-methylbenzene |
| InChI Key | ZMZVVVASCILFJL-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
1-Fluoro-2-iodobenzene 99.0+%, TCI America™
CAS: 348-52-7 Molecular Formula: C6H4FI Molecular Weight (g/mol): 222.00 MDL Number: MFCD00001031 InChI Key: TYHUGKGZNOULKD-UHFFFAOYSA-N Synonym: 2-fluoroiodobenzene,o-fluoroiodobenzene,o-iodofluorobenzene,benzene, 1-fluoro-2-iodo,2-iodofluorobenzene,3-fluoro-2-iodobenzene,1-fluoro-2-iodo-benzene,2-fluoro-iodobenzene,2-fluoro-1-iodobenzene PubChem CID: 67673 IUPAC Name: 1-fluoro-2-iodobenzene SMILES: FC1=CC=CC=C1I
| PubChem CID | 67673 |
|---|---|
| CAS | 348-52-7 |
| Molecular Weight (g/mol) | 222.00 |
| MDL Number | MFCD00001031 |
| SMILES | FC1=CC=CC=C1I |
| Synonym | 2-fluoroiodobenzene,o-fluoroiodobenzene,o-iodofluorobenzene,benzene, 1-fluoro-2-iodo,2-iodofluorobenzene,3-fluoro-2-iodobenzene,1-fluoro-2-iodo-benzene,2-fluoro-iodobenzene,2-fluoro-1-iodobenzene |
| IUPAC Name | 1-fluoro-2-iodobenzene |
| InChI Key | TYHUGKGZNOULKD-UHFFFAOYSA-N |
| Molecular Formula | C6H4FI |
4-Fluoro-alpha-methylbenzyl Alcohol 97.0+%, TCI America™
CAS: 403-41-8 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.16 MDL Number: MFCD00004515,MFCD03092997,MFCD03092998 InChI Key: PSDSORRYQPTKSV-UHFFFAOYNA-N Synonym: 1-4-fluorophenyl ethanol,4-fluoro-alpha-methylbenzyl alcohol,1-4-fluorophenyl ethan-1-ol,1-p-fluorophenyl ethanol,p-fluorophenylmethylcarbinol,4-fluorophenylmethylcarbinol,1-4-fluorophenyl-1-ethanol,alpha-methyl-4-fluorobenzyl alcohol,1-4-fluorophenyl-ethanol,4-fluorophenyl methyl carbinol PubChem CID: 73946 IUPAC Name: 1-(4-fluorophenyl)ethan-1-ol SMILES: CC(O)C1=CC=C(F)C=C1
| PubChem CID | 73946 |
|---|---|
| CAS | 403-41-8 |
| Molecular Weight (g/mol) | 140.16 |
| MDL Number | MFCD00004515,MFCD03092997,MFCD03092998 |
| SMILES | CC(O)C1=CC=C(F)C=C1 |
| Synonym | 1-4-fluorophenyl ethanol,4-fluoro-alpha-methylbenzyl alcohol,1-4-fluorophenyl ethan-1-ol,1-p-fluorophenyl ethanol,p-fluorophenylmethylcarbinol,4-fluorophenylmethylcarbinol,1-4-fluorophenyl-1-ethanol,alpha-methyl-4-fluorobenzyl alcohol,1-4-fluorophenyl-ethanol,4-fluorophenyl methyl carbinol |
| IUPAC Name | 1-(4-fluorophenyl)ethan-1-ol |
| InChI Key | PSDSORRYQPTKSV-UHFFFAOYNA-N |
| Molecular Formula | C8H9FO |
3-Fluoro-4-nitrobenzaldehyde 97.0+%, TCI America™
CAS: 160538-51-2 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD00968940 InChI Key: BWUIGISQVCIQBT-UHFFFAOYSA-N PubChem CID: 3808120 IUPAC Name: 3-fluoro-4-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)[N+](=O)[O-]
| PubChem CID | 3808120 |
|---|---|
| CAS | 160538-51-2 |
| Molecular Weight (g/mol) | 169.111 |
| MDL Number | MFCD00968940 |
| SMILES | C1=CC(=C(C=C1C=O)F)[N+](=O)[O-] |
| IUPAC Name | 3-fluoro-4-nitrobenzaldehyde |
| InChI Key | BWUIGISQVCIQBT-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO3 |
4-Fluorobenzyl Alcohol 98.0+%, TCI America™
CAS: 459-56-3 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00004651 InChI Key: GEZMEIHVFSWOCA-UHFFFAOYSA-N Synonym: 4-fluorobenzyl alcohol,4-fluorophenyl methanol,benzenemethanol, 4-fluoro,p-fluorobenzyl alcohol,4-fluorobenzylalcohol,4-fluorobenzylic alcohol,ccris 5115,4-fluorobenzoic alcohol,4-fluoro benzyl alcohol,4-fluorophenyl methan-1-ol PubChem CID: 68022 IUPAC Name: (4-fluorophenyl)methanol SMILES: C1=CC(=CC=C1CO)F
| PubChem CID | 68022 |
|---|---|
| CAS | 459-56-3 |
| Molecular Weight (g/mol) | 126.13 |
| MDL Number | MFCD00004651 |
| SMILES | C1=CC(=CC=C1CO)F |
| Synonym | 4-fluorobenzyl alcohol,4-fluorophenyl methanol,benzenemethanol, 4-fluoro,p-fluorobenzyl alcohol,4-fluorobenzylalcohol,4-fluorobenzylic alcohol,ccris 5115,4-fluorobenzoic alcohol,4-fluoro benzyl alcohol,4-fluorophenyl methan-1-ol |
| IUPAC Name | (4-fluorophenyl)methanol |
| InChI Key | GEZMEIHVFSWOCA-UHFFFAOYSA-N |
| Molecular Formula | C7H7FO |
Fexofenadine Hydrochloride 98.0+%, TCI America™
CAS: 153439-40-8 Molecular Formula: C32H40ClNO4 Molecular Weight (g/mol): 538.13 MDL Number: MFCD00865710 InChI Key: RRJFVPUCXDGFJB-UHFFFAOYNA-N Synonym: fexofenadine hydrochloride,fexofenadine hcl,allegra,telfast,2-4-1-hydroxy-4-4-hydroxydiphenylmethyl piperidin-1-yl butyl phenyl-2-methylpropanoic acid hydrochloride,fexofenidine hydrochloride,terfenadine carboxylate hydrochloride,mdl 16455 hydrochloride,terfenidine carboxylate hydrochloride PubChem CID: 63002 IUPAC Name: hydrogen 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid chloride SMILES: [H+].[Cl-].CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 63002 |
|---|---|
| CAS | 153439-40-8 |
| Molecular Weight (g/mol) | 538.13 |
| MDL Number | MFCD00865710 |
| SMILES | [H+].[Cl-].CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | fexofenadine hydrochloride,fexofenadine hcl,allegra,telfast,2-4-1-hydroxy-4-4-hydroxydiphenylmethyl piperidin-1-yl butyl phenyl-2-methylpropanoic acid hydrochloride,fexofenidine hydrochloride,terfenadine carboxylate hydrochloride,mdl 16455 hydrochloride,terfenidine carboxylate hydrochloride |
| IUPAC Name | hydrogen 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid chloride |
| InChI Key | RRJFVPUCXDGFJB-UHFFFAOYNA-N |
| Molecular Formula | C32H40ClNO4 |