Benzene and substituted derivatives
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3,4-Difluorophenyl Isothiocyanate 98.0+%, TCI America™
CAS: 113028-75-4 Molecular Formula: C7H3F2NS Molecular Weight (g/mol): 171.16 MDL Number: MFCD00175109 InChI Key: SVZKYXSJICYUOH-UHFFFAOYSA-N Synonym: Isothiocyanic Acid 3,4-Difluorophenyl Ester PubChem CID: 2758331 IUPAC Name: 1,2-difluoro-4-isothiocyanatobenzene SMILES: FC1=C(F)C=C(C=C1)N=C=S
| PubChem CID | 2758331 |
|---|---|
| CAS | 113028-75-4 |
| Molecular Weight (g/mol) | 171.16 |
| MDL Number | MFCD00175109 |
| SMILES | FC1=C(F)C=C(C=C1)N=C=S |
| Synonym | Isothiocyanic Acid 3,4-Difluorophenyl Ester |
| IUPAC Name | 1,2-difluoro-4-isothiocyanatobenzene |
| InChI Key | SVZKYXSJICYUOH-UHFFFAOYSA-N |
| Molecular Formula | C7H3F2NS |
3-Fluoro-4-methoxyaniline 98.0+%, TCI America™
CAS: 366-99-4 Molecular Formula: C7H8FNO Molecular Weight (g/mol): 141.145 MDL Number: MFCD00075040 InChI Key: LJWAPDSCYTZUJU-UHFFFAOYSA-N Synonym: 3-fluoro-4-anisidine,4-amino-2-fluoroanisole,3-fluoro-p-anisidine,3-fluoro-4-methoxy-phenylamine,benzenamine, 3-fluoro-4-methoxy,3-fluoro-4-methoxy-aniline,3-fluoro-4-methoxyphenylamine,2-fluoro-4-aminoanisole,3-fluoro-4-methoxy-anilin,3-fluoro-4-methoxy-benzenamine PubChem CID: 581110 IUPAC Name: 3-fluoro-4-methoxyaniline SMILES: COC1=C(C=C(C=C1)N)F
| PubChem CID | 581110 |
|---|---|
| CAS | 366-99-4 |
| Molecular Weight (g/mol) | 141.145 |
| MDL Number | MFCD00075040 |
| SMILES | COC1=C(C=C(C=C1)N)F |
| Synonym | 3-fluoro-4-anisidine,4-amino-2-fluoroanisole,3-fluoro-p-anisidine,3-fluoro-4-methoxy-phenylamine,benzenamine, 3-fluoro-4-methoxy,3-fluoro-4-methoxy-aniline,3-fluoro-4-methoxyphenylamine,2-fluoro-4-aminoanisole,3-fluoro-4-methoxy-anilin,3-fluoro-4-methoxy-benzenamine |
| IUPAC Name | 3-fluoro-4-methoxyaniline |
| InChI Key | LJWAPDSCYTZUJU-UHFFFAOYSA-N |
| Molecular Formula | C7H8FNO |
4-Bromo-2,2-diphenylbutyric Acid 98.0+%, TCI America™
CAS: 37742-98-6 Molecular Formula: C16H15BrO2 Molecular Weight (g/mol): 319.198 MDL Number: MFCD01321300 InChI Key: GFIYIIRFIODLLU-UHFFFAOYSA-N PubChem CID: 2756959 IUPAC Name: 4-bromo-2,2-diphenylbutanoic acid SMILES: C1=CC=C(C=C1)C(CCBr)(C2=CC=CC=C2)C(=O)O
| PubChem CID | 2756959 |
|---|---|
| CAS | 37742-98-6 |
| Molecular Weight (g/mol) | 319.198 |
| MDL Number | MFCD01321300 |
| SMILES | C1=CC=C(C=C1)C(CCBr)(C2=CC=CC=C2)C(=O)O |
| IUPAC Name | 4-bromo-2,2-diphenylbutanoic acid |
| InChI Key | GFIYIIRFIODLLU-UHFFFAOYSA-N |
| Molecular Formula | C16H15BrO2 |
2-Bromo-4-fluorobenzaldehyde 98.0+%, TCI America™
CAS: 59142-68-6 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00672923 InChI Key: OPZDXMCOWFPQPE-UHFFFAOYSA-N PubChem CID: 2773319 IUPAC Name: 2-bromo-4-fluorobenzaldehyde SMILES: FC1=CC(Br)=C(C=O)C=C1
| PubChem CID | 2773319 |
|---|---|
| CAS | 59142-68-6 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00672923 |
| SMILES | FC1=CC(Br)=C(C=O)C=C1 |
| IUPAC Name | 2-bromo-4-fluorobenzaldehyde |
| InChI Key | OPZDXMCOWFPQPE-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
Methyl 2-Bromo-5-chlorobenzoate 98.0+%, TCI America™
CAS: 27007-53-0 Molecular Formula: C8H6BrClO2 Molecular Weight (g/mol): 249.488 MDL Number: MFCD00144763 InChI Key: BIECSXCXIXHDBC-UHFFFAOYSA-N Synonym: 2-bromo-5-chlorobenzoic acid methyl ester,benzoic acid, 2-bromo-5-chloro-, methyl ester,pubchem11238,acmc-1cr8r,ksc494q3f,methyl-2-bromo-5-chlorobenzoate,methyl 2-bromo-5-chloro-benzoate,methyl 2-bromanyl-5-chloranyl-benzoate,2-bomo-5-chlorobenzoic acid methyl ester PubChem CID: 280500 IUPAC Name: methyl 2-bromo-5-chlorobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)Br
| PubChem CID | 280500 |
|---|---|
| CAS | 27007-53-0 |
| Molecular Weight (g/mol) | 249.488 |
| MDL Number | MFCD00144763 |
| SMILES | COC(=O)C1=C(C=CC(=C1)Cl)Br |
| Synonym | 2-bromo-5-chlorobenzoic acid methyl ester,benzoic acid, 2-bromo-5-chloro-, methyl ester,pubchem11238,acmc-1cr8r,ksc494q3f,methyl-2-bromo-5-chlorobenzoate,methyl 2-bromo-5-chloro-benzoate,methyl 2-bromanyl-5-chloranyl-benzoate,2-bomo-5-chlorobenzoic acid methyl ester |
| IUPAC Name | methyl 2-bromo-5-chlorobenzoate |
| InChI Key | BIECSXCXIXHDBC-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO2 |
Methyl 4-Amino-3-methylbenzoate 98.0+%, TCI America™
CAS: 18595-14-7 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00102230 InChI Key: ZHIPSMIKSRYZFV-UHFFFAOYSA-N Synonym: 4-amino-3-methylbenzoic acid methyl ester,4-amino-3-toluic acid methyl ester,methyl 3-methyl-4-aminobenzoate,methyl-4-amino-3-methyl-benzoate,methyl 4-amino-3-methyl-benzoate,benzoic acid, 4-amino-3-methyl-, methyl ester,4-amino-m-toluic acid methyl ester,methyl 4-amino-3-methylbenzenecarboxylate,zlchem 944,methyl 4-amino-m-toluate PubChem CID: 2736799 IUPAC Name: methyl 4-amino-3-methylbenzoate SMILES: COC(=O)C1=CC=C(N)C(C)=C1
| PubChem CID | 2736799 |
|---|---|
| CAS | 18595-14-7 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD00102230 |
| SMILES | COC(=O)C1=CC=C(N)C(C)=C1 |
| Synonym | 4-amino-3-methylbenzoic acid methyl ester,4-amino-3-toluic acid methyl ester,methyl 3-methyl-4-aminobenzoate,methyl-4-amino-3-methyl-benzoate,methyl 4-amino-3-methyl-benzoate,benzoic acid, 4-amino-3-methyl-, methyl ester,4-amino-m-toluic acid methyl ester,methyl 4-amino-3-methylbenzenecarboxylate,zlchem 944,methyl 4-amino-m-toluate |
| IUPAC Name | methyl 4-amino-3-methylbenzoate |
| InChI Key | ZHIPSMIKSRYZFV-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
4-(Difluoromethoxy)benzonitrile 98.0+%, TCI America™
CAS: 90446-25-6 Molecular Formula: C8H5F2NO Molecular Weight (g/mol): 169.131 MDL Number: MFCD00085006 InChI Key: OGMOYCCCAFJQKI-UHFFFAOYSA-N Synonym: 1-Cyano-4-(difluoromethoxy)benzene PubChem CID: 2736990 IUPAC Name: 4-(difluoromethoxy)benzonitrile SMILES: C1=CC(=CC=C1C#N)OC(F)F
| PubChem CID | 2736990 |
|---|---|
| CAS | 90446-25-6 |
| Molecular Weight (g/mol) | 169.131 |
| MDL Number | MFCD00085006 |
| SMILES | C1=CC(=CC=C1C#N)OC(F)F |
| Synonym | 1-Cyano-4-(difluoromethoxy)benzene |
| IUPAC Name | 4-(difluoromethoxy)benzonitrile |
| InChI Key | OGMOYCCCAFJQKI-UHFFFAOYSA-N |
| Molecular Formula | C8H5F2NO |
Ethyl 4-Fluorobenzoate 98.0+%, TCI America™
CAS: 451-46-7 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD00000351 InChI Key: UMPRJGKLMUDRHL-UHFFFAOYSA-N Synonym: 4-fluorobenzoic acid ethyl ester,ethyl p-fluorobenzoate,benzoic acid, 4-fluoro-, ethyl ester,p-fluorobenzoic acid, ethyl ester,ethyl4-fluorobenzoate,4-fluoro-benzoic acid ethyl ester,benzoic acid, p-fluoro-, ethyl ester,ethyep-fluorobenzoate,pubchem3471,ethyl-4-fluorobenzoate PubChem CID: 67976 IUPAC Name: ethyl 4-fluorobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)F
| PubChem CID | 67976 |
|---|---|
| CAS | 451-46-7 |
| Molecular Weight (g/mol) | 168.167 |
| MDL Number | MFCD00000351 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)F |
| Synonym | 4-fluorobenzoic acid ethyl ester,ethyl p-fluorobenzoate,benzoic acid, 4-fluoro-, ethyl ester,p-fluorobenzoic acid, ethyl ester,ethyl4-fluorobenzoate,4-fluoro-benzoic acid ethyl ester,benzoic acid, p-fluoro-, ethyl ester,ethyep-fluorobenzoate,pubchem3471,ethyl-4-fluorobenzoate |
| IUPAC Name | ethyl 4-fluorobenzoate |
| InChI Key | UMPRJGKLMUDRHL-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO2 |
1-Ethyl-3,5-difluorobenzene 98.0+%, TCI America™
CAS: 117358-52-8 Molecular Formula: C8H8F2 Molecular Weight (g/mol): 142.149 MDL Number: MFCD10000628 InChI Key: PFINYKRPUJCMCT-UHFFFAOYSA-N PubChem CID: 20352892 IUPAC Name: 1-ethyl-3,5-difluorobenzene SMILES: CCC1=CC(=CC(=C1)F)F
| PubChem CID | 20352892 |
|---|---|
| CAS | 117358-52-8 |
| Molecular Weight (g/mol) | 142.149 |
| MDL Number | MFCD10000628 |
| SMILES | CCC1=CC(=CC(=C1)F)F |
| IUPAC Name | 1-ethyl-3,5-difluorobenzene |
| InChI Key | PFINYKRPUJCMCT-UHFFFAOYSA-N |
| Molecular Formula | C8H8F2 |
2-Fluoro-5-nitrobenzotrifluoride 98.0+%, TCI America™
CAS: 400-74-8 Molecular Formula: C7H3F4NO2 Molecular Weight (g/mol): 209.1 MDL Number: MFCD00024576 InChI Key: DNTHMWUMRGOJRY-UHFFFAOYSA-N Synonym: 2-fluoro-5-nitrobenzotrifluoride,1-fluoro-4-nitro-2-trifluoromethyl benzene,benzene, 1-fluoro-4-nitro-2-trifluoromethyl,alpha,alpha,alpha-2-tetrafluorotoluene,2-fluoro-5-nitro trifluoromethyl benzene,1-fluoro-4-nitro-2-trifluoromethyl-benzene,1-fluoro-2-trifluoromethyl-4-nitrobenzene,5-nitro-alpha,alpha,alpha,2-tetrafluorotoluene,pubchem1653,2-fluor-5-nitrobenzotrifluorid PubChem CID: 94954 IUPAC Name: 1-fluoro-4-nitro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)F
| PubChem CID | 94954 |
|---|---|
| CAS | 400-74-8 |
| Molecular Weight (g/mol) | 209.1 |
| MDL Number | MFCD00024576 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)F |
| Synonym | 2-fluoro-5-nitrobenzotrifluoride,1-fluoro-4-nitro-2-trifluoromethyl benzene,benzene, 1-fluoro-4-nitro-2-trifluoromethyl,alpha,alpha,alpha-2-tetrafluorotoluene,2-fluoro-5-nitro trifluoromethyl benzene,1-fluoro-4-nitro-2-trifluoromethyl-benzene,1-fluoro-2-trifluoromethyl-4-nitrobenzene,5-nitro-alpha,alpha,alpha,2-tetrafluorotoluene,pubchem1653,2-fluor-5-nitrobenzotrifluorid |
| IUPAC Name | 1-fluoro-4-nitro-2-(trifluoromethyl)benzene |
| InChI Key | DNTHMWUMRGOJRY-UHFFFAOYSA-N |
| Molecular Formula | C7H3F4NO2 |
5,6-Difluoro-o-anisaldehyde 97.0+%, TCI America™
CAS: 187543-87-9 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD02093968 InChI Key: AKOJAYHBKACKNJ-UHFFFAOYSA-N Synonym: 5,6-difluoro-o-anisaldehyde,2,3-difluoro-6-methoxy-benzaldehyde,3,4-difluoro-2-formylanisole,pubchem2902,acmc-1bwkg,2-methoxy-5,6-difluorobenzaldehyde,2-methoxy-5,6-difluoro-benzaldehyde,2,3-difluoro-6-methyloxy benzaldehyde,benzaldehyde, 2,3-difluoro-6-methoxy,2,3-bis fluoranyl-6-methoxy-benzaldehyde PubChem CID: 2774112 IUPAC Name: 2,3-difluoro-6-methoxybenzaldehyde SMILES: COC1=C(C(=C(C=C1)F)F)C=O
| PubChem CID | 2774112 |
|---|---|
| CAS | 187543-87-9 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD02093968 |
| SMILES | COC1=C(C(=C(C=C1)F)F)C=O |
| Synonym | 5,6-difluoro-o-anisaldehyde,2,3-difluoro-6-methoxy-benzaldehyde,3,4-difluoro-2-formylanisole,pubchem2902,acmc-1bwkg,2-methoxy-5,6-difluorobenzaldehyde,2-methoxy-5,6-difluoro-benzaldehyde,2,3-difluoro-6-methyloxy benzaldehyde,benzaldehyde, 2,3-difluoro-6-methoxy,2,3-bis fluoranyl-6-methoxy-benzaldehyde |
| IUPAC Name | 2,3-difluoro-6-methoxybenzaldehyde |
| InChI Key | AKOJAYHBKACKNJ-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
N-Benzylethylenediamine 97.0+%, TCI America™
CAS: 9-4-4152 Molecular Formula: C9H14N2 Molecular Weight (g/mol): 150.23 MDL Number: MFCD00041896 InChI Key: ACYBVNYNIZTUIL-UHFFFAOYSA-N Synonym: n-benzylethylenediamine,n1-benzylethane-1,2-diamine,2-aminoethyl benzyl amine,ethylenediamine, n-benzyl,1,2-ethanediamine, n-phenylmethyl,n-2-aminoethyl-n-benzylamine,2-benzylaminoethylamine,n-benzylethane-1,2-diamine,1,2-ethanediamine, n1-phenylmethyl,2-aminoethyl benzylamine PubChem CID: 77801 IUPAC Name: N'-benzylethane-1,2-diamine SMILES: C1=CC=C(C=C1)CNCCN
| PubChem CID | 77801 |
|---|---|
| CAS | 9-4-4152 |
| Molecular Weight (g/mol) | 150.23 |
| MDL Number | MFCD00041896 |
| SMILES | C1=CC=C(C=C1)CNCCN |
| Synonym | n-benzylethylenediamine,n1-benzylethane-1,2-diamine,2-aminoethyl benzyl amine,ethylenediamine, n-benzyl,1,2-ethanediamine, n-phenylmethyl,n-2-aminoethyl-n-benzylamine,2-benzylaminoethylamine,n-benzylethane-1,2-diamine,1,2-ethanediamine, n1-phenylmethyl,2-aminoethyl benzylamine |
| IUPAC Name | N'-benzylethane-1,2-diamine |
| InChI Key | ACYBVNYNIZTUIL-UHFFFAOYSA-N |
| Molecular Formula | C9H14N2 |
2-Amino-5-bromobenzotrifluoride 97.0+%, TCI America™
CAS: 445-02-3 Molecular Formula: C7H5BrF3N Molecular Weight (g/mol): 240.02 MDL Number: MFCD00064393 InChI Key: PHXGKHTWEOPCEW-UHFFFAOYSA-N Synonym: 2-amino-5-bromobenzotrifluoride,4-bromo-2-trifluoromethyl aniline,benzenamine, 4-bromo-2-trifluoromethyl,4-bromo-2-trifluoromethyl-phenylamine,2-amino-5-bromo trifluoromethyl benzene,2-amino-5-bromo benzotrifluoride,4-bromo-2-trifluoroaniline,2-trifluoromethyl-4-bromoaniline,4-bromo-alpha,alpha,alpha-trifluoro-o-toluidine,4-bromo-2-trifluoromethyl-aniline PubChem CID: 67960 IUPAC Name: 4-bromo-2-(trifluoromethyl)aniline SMILES: NC1=CC=C(Br)C=C1C(F)(F)F
| PubChem CID | 67960 |
|---|---|
| CAS | 445-02-3 |
| Molecular Weight (g/mol) | 240.02 |
| MDL Number | MFCD00064393 |
| SMILES | NC1=CC=C(Br)C=C1C(F)(F)F |
| Synonym | 2-amino-5-bromobenzotrifluoride,4-bromo-2-trifluoromethyl aniline,benzenamine, 4-bromo-2-trifluoromethyl,4-bromo-2-trifluoromethyl-phenylamine,2-amino-5-bromo trifluoromethyl benzene,2-amino-5-bromo benzotrifluoride,4-bromo-2-trifluoroaniline,2-trifluoromethyl-4-bromoaniline,4-bromo-alpha,alpha,alpha-trifluoro-o-toluidine,4-bromo-2-trifluoromethyl-aniline |
| IUPAC Name | 4-bromo-2-(trifluoromethyl)aniline |
| InChI Key | PHXGKHTWEOPCEW-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF3N |
4-Fluoro-N-methylbenzylamine 97.0+%, TCI America™
CAS: 405-66-3 Molecular Formula: C8H10FN Molecular Weight (g/mol): 139.173 MDL Number: MFCD03839848 InChI Key: SZJIQLSCDIEJFC-UHFFFAOYSA-N Synonym: n-methyl-4-fluorobenzylamine,4-fluoro-n-methylbenzylamine,4-fluoro-benzyl-methyl-amine,1-4-fluorophenyl-n-methylmethanamine,n-4-fluorobenzyl-n-methylamine,4-fluoro-n-methyl benzylamine,4-fluorophenyl methyl methyl amine,benzenemethanamine, 4-fluoro-n-methyl,1-4-fluorophenyl-n-methyl-methanamine,acmc-1aek3 PubChem CID: 736860 IUPAC Name: 1-(4-fluorophenyl)-N-methylmethanamine SMILES: CNCC1=CC=C(C=C1)F
| PubChem CID | 736860 |
|---|---|
| CAS | 405-66-3 |
| Molecular Weight (g/mol) | 139.173 |
| MDL Number | MFCD03839848 |
| SMILES | CNCC1=CC=C(C=C1)F |
| Synonym | n-methyl-4-fluorobenzylamine,4-fluoro-n-methylbenzylamine,4-fluoro-benzyl-methyl-amine,1-4-fluorophenyl-n-methylmethanamine,n-4-fluorobenzyl-n-methylamine,4-fluoro-n-methyl benzylamine,4-fluorophenyl methyl methyl amine,benzenemethanamine, 4-fluoro-n-methyl,1-4-fluorophenyl-n-methyl-methanamine,acmc-1aek3 |
| IUPAC Name | 1-(4-fluorophenyl)-N-methylmethanamine |
| InChI Key | SZJIQLSCDIEJFC-UHFFFAOYSA-N |
| Molecular Formula | C8H10FN |