Benzene and substituted derivatives
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2-(Difluoromethoxy)benzylamine, 97%, Thermo Scientific Chemicals
CAS: 243863-36-7 Molecular Formula: C8H9F2NO Molecular Weight (g/mol): 173.163 MDL Number: MFCD00236229 InChI Key: GGXXUJUQXAOYPK-UHFFFAOYSA-N Synonym: 2-difluoromethoxy benzylamine,2-difluoromethoxy phenyl methanamine,1-2-difluoromethoxy phenyl methanamine,benzenemethanamine, 2-difluoromethoxy,2-difluoromethoxy phenyl methylamine,acmc-20a5tk,2-difluoromethoxy-benzylamine,2-difluoromethoxy benzyl amine PubChem CID: 1514062 IUPAC Name: [2-(difluoromethoxy)phenyl]methanamine SMILES: C1=CC=C(C(=C1)CN)OC(F)F
| PubChem CID | 1514062 |
|---|---|
| CAS | 243863-36-7 |
| Molecular Weight (g/mol) | 173.163 |
| MDL Number | MFCD00236229 |
| SMILES | C1=CC=C(C(=C1)CN)OC(F)F |
| Synonym | 2-difluoromethoxy benzylamine,2-difluoromethoxy phenyl methanamine,1-2-difluoromethoxy phenyl methanamine,benzenemethanamine, 2-difluoromethoxy,2-difluoromethoxy phenyl methylamine,acmc-20a5tk,2-difluoromethoxy-benzylamine,2-difluoromethoxy benzyl amine |
| IUPAC Name | [2-(difluoromethoxy)phenyl]methanamine |
| InChI Key | GGXXUJUQXAOYPK-UHFFFAOYSA-N |
| Molecular Formula | C8H9F2NO |
4-Nitrobenzotrifluoride, 98%
CAS: 402-54-0 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.109 MDL Number: MFCD00007358 InChI Key: XKYLCLMYQDFGKO-UHFFFAOYSA-N Synonym: 4-nitrobenzotrifluoride,1-nitro-4-trifluoromethyl benzene,p-nitrobenzotrifluoride,benzene, 1-nitro-4-trifluoromethyl,4-nitro-alpha,alpha,alpha-trifluorotoluene,4-trifluoromethyl nitrobenzene,4-nitro-a,a,a-trifluorotoluene,p-nitro-trifluoromethylphenol,p-trifluoromethylnitrobenzene,4-nitro-.alpha.,.alpha.,.alpha.-trifluorotoluene PubChem CID: 9821 IUPAC Name: 1-nitro-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)[N+](=O)[O-]
| PubChem CID | 9821 |
|---|---|
| CAS | 402-54-0 |
| Molecular Weight (g/mol) | 191.109 |
| MDL Number | MFCD00007358 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)[N+](=O)[O-] |
| Synonym | 4-nitrobenzotrifluoride,1-nitro-4-trifluoromethyl benzene,p-nitrobenzotrifluoride,benzene, 1-nitro-4-trifluoromethyl,4-nitro-alpha,alpha,alpha-trifluorotoluene,4-trifluoromethyl nitrobenzene,4-nitro-a,a,a-trifluorotoluene,p-nitro-trifluoromethylphenol,p-trifluoromethylnitrobenzene,4-nitro-.alpha.,.alpha.,.alpha.-trifluorotoluene |
| IUPAC Name | 1-nitro-4-(trifluoromethyl)benzene |
| InChI Key | XKYLCLMYQDFGKO-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO2 |
2-Amino-6-methylbenzoic acid, 98%
CAS: 4389-50-8 Molecular Formula: C8H8NO2 Molecular Weight (g/mol): 150.16 MDL Number: MFCD00007809 InChI Key: XHYVBIXKORFHFM-UHFFFAOYSA-M Synonym: 6-methylanthranilic acid,6-amino-o-toluic acid,benzoic acid, 2-amino-6-methyl,2-amino-6-methyl-benzoic acid,6-methylanthranilate,pubchem4957,acmc-209jvt,6-methyl anthranilic acid,3-amino-2-carboxytoluene,2-carboxy-3-methylaniline PubChem CID: 151210 IUPAC Name: 2-amino-6-methylbenzoic acid SMILES: CC1=CC=CC(N)=C1C([O-])=O
| PubChem CID | 151210 |
|---|---|
| CAS | 4389-50-8 |
| Molecular Weight (g/mol) | 150.16 |
| MDL Number | MFCD00007809 |
| SMILES | CC1=CC=CC(N)=C1C([O-])=O |
| Synonym | 6-methylanthranilic acid,6-amino-o-toluic acid,benzoic acid, 2-amino-6-methyl,2-amino-6-methyl-benzoic acid,6-methylanthranilate,pubchem4957,acmc-209jvt,6-methyl anthranilic acid,3-amino-2-carboxytoluene,2-carboxy-3-methylaniline |
| IUPAC Name | 2-amino-6-methylbenzoic acid |
| InChI Key | XHYVBIXKORFHFM-UHFFFAOYSA-M |
| Molecular Formula | C8H8NO2 |
4-Methyl-3-nitrobenzeneboronic acid, 98%
CAS: 80500-27-2 Molecular Formula: C7H8BNO4 Molecular Weight (g/mol): 180.954 MDL Number: MFCD00191550 InChI Key: OASVXBRTNVFKFS-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrophenyl boronic acid,4-methyl-3-nitrobenzeneboronic acid,3-nitro-p-tolylboronic acid,4-methyl-3-nitrophenyl boranediol,4-methyl-3-nitro-phenyl boronic acid,3-nitro-4-methylphenylboronic acid,2-nitrotoluene-4-boronic acid,boronic acid, 4-methyl-3-nitrophenyl,3-nitro-4-methylbenzeneboronic acid PubChem CID: 2773515 IUPAC Name: (4-methyl-3-nitrophenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O
| PubChem CID | 2773515 |
|---|---|
| CAS | 80500-27-2 |
| Molecular Weight (g/mol) | 180.954 |
| MDL Number | MFCD00191550 |
| SMILES | B(C1=CC(=C(C=C1)C)[N+](=O)[O-])(O)O |
| Synonym | 4-methyl-3-nitrophenyl boronic acid,4-methyl-3-nitrobenzeneboronic acid,3-nitro-p-tolylboronic acid,4-methyl-3-nitrophenyl boranediol,4-methyl-3-nitro-phenyl boronic acid,3-nitro-4-methylphenylboronic acid,2-nitrotoluene-4-boronic acid,boronic acid, 4-methyl-3-nitrophenyl,3-nitro-4-methylbenzeneboronic acid |
| IUPAC Name | (4-methyl-3-nitrophenyl)boronic acid |
| InChI Key | OASVXBRTNVFKFS-UHFFFAOYSA-N |
| Molecular Formula | C7H8BNO4 |
4-(1h-Imidazol-1-ylmethyl)benzaldehyde, 97%, Thermo Scientific™
CAS: 102432-03-1 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 InChI Key: PYVCQHSLEIAQET-UHFFFAOYSA-N PubChem CID: 11126983 IUPAC Name: 4-(imidazol-1-ylmethyl)benzaldehyde SMILES: C1=CC(=CC=C1CN2C=CN=C2)C=O
| PubChem CID | 11126983 |
|---|---|
| CAS | 102432-03-1 |
| Molecular Weight (g/mol) | 186.214 |
| SMILES | C1=CC(=CC=C1CN2C=CN=C2)C=O |
| IUPAC Name | 4-(imidazol-1-ylmethyl)benzaldehyde |
| InChI Key | PYVCQHSLEIAQET-UHFFFAOYSA-N |
| Molecular Formula | C11H10N2O |
3,3'-Diaminobenzophenone, 90%
CAS: 611-79-0 Molecular Formula: C13H12N2O Molecular Weight (g/mol): 212.25 MDL Number: MFCD00014774 InChI Key: TUQQUUXMCKXGDI-UHFFFAOYSA-N Synonym: 3,3'-diaminobenzophenone,bis 3-aminophenyl methanone,methanone, bis 3-aminophenyl,di3-aminophenyl ketone,3,3'-diaminodiphenyl ketone,pubchem3381,acmc-1awhc,cbmicro_014188,3,3'-diamino benzophenone,3-3-aminobenzoyl aniline PubChem CID: 69145 IUPAC Name: bis(3-aminophenyl)methanone SMILES: NC1=CC(=CC=C1)C(=O)C1=CC(N)=CC=C1
| PubChem CID | 69145 |
|---|---|
| CAS | 611-79-0 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00014774 |
| SMILES | NC1=CC(=CC=C1)C(=O)C1=CC(N)=CC=C1 |
| Synonym | 3,3'-diaminobenzophenone,bis 3-aminophenyl methanone,methanone, bis 3-aminophenyl,di3-aminophenyl ketone,3,3'-diaminodiphenyl ketone,pubchem3381,acmc-1awhc,cbmicro_014188,3,3'-diamino benzophenone,3-3-aminobenzoyl aniline |
| IUPAC Name | bis(3-aminophenyl)methanone |
| InChI Key | TUQQUUXMCKXGDI-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2O |
(Trifluoromethoxy)benzene, 99%
CAS: 456-55-3 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.11 MDL Number: MFCD00040832 InChI Key: GQHWSLKNULCZGI-UHFFFAOYSA-N Synonym: trifluoromethoxy benzene,1-trifluoromethoxy benzene,benzene, trifluoromethoxy,phenyl trifluoromethyl ether,alpha,alpha,alpha-trifluoroanisole,trifluorophenoxymethane,pubchem7458,trifluoromethyloxybenzene,p-trifluoromethoxybenzene,trifluoromethoxy-benzene PubChem CID: 68010 IUPAC Name: trifluoromethoxybenzene SMILES: FC(F)(F)OC1=CC=CC=C1
| PubChem CID | 68010 |
|---|---|
| CAS | 456-55-3 |
| Molecular Weight (g/mol) | 162.11 |
| MDL Number | MFCD00040832 |
| SMILES | FC(F)(F)OC1=CC=CC=C1 |
| Synonym | trifluoromethoxy benzene,1-trifluoromethoxy benzene,benzene, trifluoromethoxy,phenyl trifluoromethyl ether,alpha,alpha,alpha-trifluoroanisole,trifluorophenoxymethane,pubchem7458,trifluoromethyloxybenzene,p-trifluoromethoxybenzene,trifluoromethoxy-benzene |
| IUPAC Name | trifluoromethoxybenzene |
| InChI Key | GQHWSLKNULCZGI-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3O |
4-Iodo-2-nitroanisole, 98%
CAS: 52692-09-8 Molecular Formula: C7H6INO3 Molecular Weight (g/mol): 279.033 MDL Number: MFCD08060933 InChI Key: WULXGCDMVLQZBT-UHFFFAOYSA-N Synonym: 4-iodo-2-nitroanisole,4-iodo-1-methoxy-2-nitro-benzene,benzene, 4-iodo-1-methoxy-2-nitro,2-nitro-4-iodoanisole,acmc-1amtn,4-methoxy-3-nitroiodobenzene,benzene,4-iodo-1-methoxy-2-nitro,4-iodanyl-1-methoxy-2-nitro-benzene PubChem CID: 12249866 IUPAC Name: 4-iodo-1-methoxy-2-nitrobenzene SMILES: COC1=C(C=C(C=C1)I)[N+](=O)[O-]
| PubChem CID | 12249866 |
|---|---|
| CAS | 52692-09-8 |
| Molecular Weight (g/mol) | 279.033 |
| MDL Number | MFCD08060933 |
| SMILES | COC1=C(C=C(C=C1)I)[N+](=O)[O-] |
| Synonym | 4-iodo-2-nitroanisole,4-iodo-1-methoxy-2-nitro-benzene,benzene, 4-iodo-1-methoxy-2-nitro,2-nitro-4-iodoanisole,acmc-1amtn,4-methoxy-3-nitroiodobenzene,benzene,4-iodo-1-methoxy-2-nitro,4-iodanyl-1-methoxy-2-nitro-benzene |
| IUPAC Name | 4-iodo-1-methoxy-2-nitrobenzene |
| InChI Key | WULXGCDMVLQZBT-UHFFFAOYSA-N |
| Molecular Formula | C7H6INO3 |
4-Isopropylaniline, 99%
CAS: 99-88-7 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00007900 InChI Key: LRTFPLFDLJYEKT-UHFFFAOYSA-N Synonym: 4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl PubChem CID: 7464 ChEBI: CHEBI:43405 IUPAC Name: 4-propan-2-ylaniline SMILES: CC(C)C1=CC=C(C=C1)N
| PubChem CID | 7464 |
|---|---|
| CAS | 99-88-7 |
| Molecular Weight (g/mol) | 135.21 |
| ChEBI | CHEBI:43405 |
| MDL Number | MFCD00007900 |
| SMILES | CC(C)C1=CC=C(C=C1)N |
| Synonym | 4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl |
| IUPAC Name | 4-propan-2-ylaniline |
| InChI Key | LRTFPLFDLJYEKT-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
2-Chloro-6-fluorobenzene-1-carbonyl chloride, 97%, Thermo Scientific™
CAS: 79455-63-3 Molecular Formula: C7H3Cl2FO Molecular Weight (g/mol): 192.998 InChI Key: GFNAJZAKJGKJCS-UHFFFAOYSA-N Synonym: 2-chloro-6-fluorobenzoylchloride,2-chloro-6-fluorobenzene-1-carbonyl chloride,2-chloro-6-fluoro-benzoyl chloride,6-chloro-2-fluorobenzoyl chloride,benzoyl chloride, 2-chloro-6-fluoro,acmc-1behg,2-fluoro-6-chlorobenzoyl chloride,attercop-chm at108371,2-chloro-6-fluoro benzoyl chloride,2-chloranyl-6-fluoranyl-benzoyl chloride PubChem CID: 2736547 IUPAC Name: 2-chloro-6-fluorobenzoyl chloride SMILES: C1=CC(=C(C(=C1)Cl)C(=O)Cl)F
| PubChem CID | 2736547 |
|---|---|
| CAS | 79455-63-3 |
| Molecular Weight (g/mol) | 192.998 |
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)Cl)F |
| Synonym | 2-chloro-6-fluorobenzoylchloride,2-chloro-6-fluorobenzene-1-carbonyl chloride,2-chloro-6-fluoro-benzoyl chloride,6-chloro-2-fluorobenzoyl chloride,benzoyl chloride, 2-chloro-6-fluoro,acmc-1behg,2-fluoro-6-chlorobenzoyl chloride,attercop-chm at108371,2-chloro-6-fluoro benzoyl chloride,2-chloranyl-6-fluoranyl-benzoyl chloride |
| IUPAC Name | 2-chloro-6-fluorobenzoyl chloride |
| InChI Key | GFNAJZAKJGKJCS-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl2FO |
Methyl 3-amino-4-iodobenzoate, 97%
CAS: 412947-54-7 Molecular Formula: C8H8INO2 Molecular Weight (g/mol): 277.061 MDL Number: MFCD08064225 InChI Key: WJEBNIVVLJEIKE-UHFFFAOYSA-N Synonym: 3-amino-4-iodobenzoic acid methyl ester,benzoic acid, 3-amino-4-iodo-, methyl ester,methyl3-amino-4-iodobenzoate,pubchem10509,acmc-209ygt,ksc495i4l,methyl-3-amino-4-iodobenzoate,methyl 3-amino-4-iodo-benzoate,3-amino-4-iodo-benzoic acid methyl ester PubChem CID: 21628210 IUPAC Name: methyl 3-amino-4-iodobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)I)N
| PubChem CID | 21628210 |
|---|---|
| CAS | 412947-54-7 |
| Molecular Weight (g/mol) | 277.061 |
| MDL Number | MFCD08064225 |
| SMILES | COC(=O)C1=CC(=C(C=C1)I)N |
| Synonym | 3-amino-4-iodobenzoic acid methyl ester,benzoic acid, 3-amino-4-iodo-, methyl ester,methyl3-amino-4-iodobenzoate,pubchem10509,acmc-209ygt,ksc495i4l,methyl-3-amino-4-iodobenzoate,methyl 3-amino-4-iodo-benzoate,3-amino-4-iodo-benzoic acid methyl ester |
| IUPAC Name | methyl 3-amino-4-iodobenzoate |
| InChI Key | WJEBNIVVLJEIKE-UHFFFAOYSA-N |
| Molecular Formula | C8H8INO2 |
3-Methoxybenzylamine, 97%
CAS: 5071-96-5 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00008115 InChI Key: GRRIMVWABNHKBX-UHFFFAOYSA-N Synonym: 3-methoxybenzylamine,m-methoxybenzylamine,3-methoxyphenyl methanamine,1-3-methoxyphenyl methanamine,benzenemethanamine, 3-methoxy,3-methoxyphenyl methylamine,benzylamine, m-methoxy,methoxybenzylamine, 3,benzenemethanamine, 3-methoxy-9ci,sz4 PubChem CID: 21156 IUPAC Name: (3-methoxyphenyl)methanamine SMILES: COC1=CC=CC(CN)=C1
| PubChem CID | 21156 |
|---|---|
| CAS | 5071-96-5 |
| Molecular Weight (g/mol) | 137.18 |
| MDL Number | MFCD00008115 |
| SMILES | COC1=CC=CC(CN)=C1 |
| Synonym | 3-methoxybenzylamine,m-methoxybenzylamine,3-methoxyphenyl methanamine,1-3-methoxyphenyl methanamine,benzenemethanamine, 3-methoxy,3-methoxyphenyl methylamine,benzylamine, m-methoxy,methoxybenzylamine, 3,benzenemethanamine, 3-methoxy-9ci,sz4 |
| IUPAC Name | (3-methoxyphenyl)methanamine |
| InChI Key | GRRIMVWABNHKBX-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
p-Toluenesulfonyl fluoride, 98%
CAS: 455-16-3 Molecular Formula: C7H7FO2S Molecular Weight (g/mol): 174.189 MDL Number: MFCD00007421 InChI Key: IZZYABADQVQHLC-UHFFFAOYSA-N Synonym: p-toluenesulfonyl fluoride,tosyl fluoride,4-toluenesulfonyl fluoride,benzenesulfonyl fluoride, 4-methyl,4-tolylsulfonyl fluoride,toluene-4-sulfonyl fluoride,p-methylbenzenesulfonyl fluoride,p-toluenesulphonyl fluoride,toluene-p-sulphonyl fluoride,p-methylphenylsulfonyl fluoride PubChem CID: 9965 IUPAC Name: 4-methylbenzenesulfonyl fluoride SMILES: CC1=CC=C(C=C1)S(=O)(=O)F
| PubChem CID | 9965 |
|---|---|
| CAS | 455-16-3 |
| Molecular Weight (g/mol) | 174.189 |
| MDL Number | MFCD00007421 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)F |
| Synonym | p-toluenesulfonyl fluoride,tosyl fluoride,4-toluenesulfonyl fluoride,benzenesulfonyl fluoride, 4-methyl,4-tolylsulfonyl fluoride,toluene-4-sulfonyl fluoride,p-methylbenzenesulfonyl fluoride,p-toluenesulphonyl fluoride,toluene-p-sulphonyl fluoride,p-methylphenylsulfonyl fluoride |
| IUPAC Name | 4-methylbenzenesulfonyl fluoride |
| InChI Key | IZZYABADQVQHLC-UHFFFAOYSA-N |
| Molecular Formula | C7H7FO2S |
2-Bromo-5-fluoroaniline, 98%
CAS: 1003-99-2 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD00070750 InChI Key: FWTXFEKVHSFTDQ-UHFFFAOYSA-N Synonym: benzenamine, 2-bromo-5-fluoro,2-bromo-5-fluorobenzenamine,2-bromo-5-fluoro-aniline,2-bromo-5-fluoro-phenylamine,2-bromo-5-fluoro-benzenamine,2-bromo-5-fluorophenylamine,pubchem1524,5-fluoro-2-bromoaniline,2-bromo-5-fluoro aniline,acmc-1c3a5 PubChem CID: 2773317 IUPAC Name: 2-bromo-5-fluoroaniline SMILES: C1=CC(=C(C=C1F)N)Br
| PubChem CID | 2773317 |
|---|---|
| CAS | 1003-99-2 |
| Molecular Weight (g/mol) | 190.015 |
| MDL Number | MFCD00070750 |
| SMILES | C1=CC(=C(C=C1F)N)Br |
| Synonym | benzenamine, 2-bromo-5-fluoro,2-bromo-5-fluorobenzenamine,2-bromo-5-fluoro-aniline,2-bromo-5-fluoro-phenylamine,2-bromo-5-fluoro-benzenamine,2-bromo-5-fluorophenylamine,pubchem1524,5-fluoro-2-bromoaniline,2-bromo-5-fluoro aniline,acmc-1c3a5 |
| IUPAC Name | 2-bromo-5-fluoroaniline |
| InChI Key | FWTXFEKVHSFTDQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
1-Bromo-3-iodobenzene, 98%
CAS: 591-18-4 Molecular Formula: C6H4BrI Molecular Weight (g/mol): 282.91 MDL Number: MFCD00001043 InChI Key: CTPUUDQIXKUAMO-UHFFFAOYSA-N Synonym: 3-bromoiodobenzene,benzene, 1-bromo-3-iodo,m-bromoiodobenzene,1-bromo-3-iodo-benzene,3-bromo-1-iodobenzene,attercop-chm at127411,m-bromjodbenzol,3-iodobromobenzene,3-bromo iodobenzene PubChem CID: 11561 IUPAC Name: 1-bromo-3-iodobenzene SMILES: BrC1=CC=CC(I)=C1
| PubChem CID | 11561 |
|---|---|
| CAS | 591-18-4 |
| Molecular Weight (g/mol) | 282.91 |
| MDL Number | MFCD00001043 |
| SMILES | BrC1=CC=CC(I)=C1 |
| Synonym | 3-bromoiodobenzene,benzene, 1-bromo-3-iodo,m-bromoiodobenzene,1-bromo-3-iodo-benzene,3-bromo-1-iodobenzene,attercop-chm at127411,m-bromjodbenzol,3-iodobromobenzene,3-bromo iodobenzene |
| IUPAC Name | 1-bromo-3-iodobenzene |
| InChI Key | CTPUUDQIXKUAMO-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrI |