Benzene and substituted derivatives
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4-Chloro-3-fluorobenzeneboronic acid, 97%, Thermo Scientific Chemicals
CAS: 137504-86-0 Molecular Formula: C6H5BClFO2 Molecular Weight (g/mol): 174.362 MDL Number: MFCD01319010 InChI Key: CMJQIHGBUKZEHP-UHFFFAOYSA-N Synonym: 4-chloro-3-fluorophenyl boronic acid,4-chloro-3-fluorobenzeneboronic acid,3-fluoro-4-chlorophenylboronic acid,4-chloro-3-fluoro-phenyl boronic acid,boronic acid, 4-chloro-3-fluorophenyl,4-chloro-3-fluorobenzeneboronicacid,pubchem1776,ksc174k0r,acmc-1c195,4-chloro3-fluorophenylboronic acid PubChem CID: 2778656 IUPAC Name: (4-chloro-3-fluorophenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)Cl)F)(O)O
| PubChem CID | 2778656 |
|---|---|
| CAS | 137504-86-0 |
| Molecular Weight (g/mol) | 174.362 |
| MDL Number | MFCD01319010 |
| SMILES | B(C1=CC(=C(C=C1)Cl)F)(O)O |
| Synonym | 4-chloro-3-fluorophenyl boronic acid,4-chloro-3-fluorobenzeneboronic acid,3-fluoro-4-chlorophenylboronic acid,4-chloro-3-fluoro-phenyl boronic acid,boronic acid, 4-chloro-3-fluorophenyl,4-chloro-3-fluorobenzeneboronicacid,pubchem1776,ksc174k0r,acmc-1c195,4-chloro3-fluorophenylboronic acid |
| IUPAC Name | (4-chloro-3-fluorophenyl)boronic acid |
| InChI Key | CMJQIHGBUKZEHP-UHFFFAOYSA-N |
| Molecular Formula | C6H5BClFO2 |
1-Bromo-4-n-hexylbenzene, 97%
CAS: 23703-22-2 Molecular Formula: C12H17Br Molecular Weight (g/mol): 241.17 MDL Number: MFCD00061114 InChI Key: MXHOLIARBWJKCR-UHFFFAOYSA-N Synonym: 1-4-bromophenyl hexane,4-hexylbromobenzene,1-bromo-4-n-hexylbenzene,4-bromo-1-hexylbenzene,benzene, 1-bromo-4-hexyl,4-bromo-n-hexylbenzene,4-hexylphenyl bromide,1-bromo-4-hexyl-benzene,acmc-1cb1g,# PubChem CID: 598186 IUPAC Name: 1-bromo-4-hexylbenzene SMILES: CCCCCCC1=CC=C(Br)C=C1
| PubChem CID | 598186 |
|---|---|
| CAS | 23703-22-2 |
| Molecular Weight (g/mol) | 241.17 |
| MDL Number | MFCD00061114 |
| SMILES | CCCCCCC1=CC=C(Br)C=C1 |
| Synonym | 1-4-bromophenyl hexane,4-hexylbromobenzene,1-bromo-4-n-hexylbenzene,4-bromo-1-hexylbenzene,benzene, 1-bromo-4-hexyl,4-bromo-n-hexylbenzene,4-hexylphenyl bromide,1-bromo-4-hexyl-benzene,acmc-1cb1g,# |
| IUPAC Name | 1-bromo-4-hexylbenzene |
| InChI Key | MXHOLIARBWJKCR-UHFFFAOYSA-N |
| Molecular Formula | C12H17Br |
2-Chloro-5-(trifluoromethyl)aniline, 97%
CAS: 121-50-6 Molecular Formula: C7H5ClF3N Molecular Weight (g/mol): 195.569 MDL Number: MFCD00007673 InChI Key: VKTTYIXIDXWHKW-UHFFFAOYSA-N Synonym: 3-amino-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl aniline,fast orange rd oil,fast orange salt rd,orange salt nrd,benzenamine, 2-chloro-5-trifluoromethyl,fast orange rd salt,daito orange salt rd,diazo fast orange rd,fast orange salt rda PubChem CID: 8475 IUPAC Name: 2-chloro-5-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1C(F)(F)F)N)Cl
| PubChem CID | 8475 |
|---|---|
| CAS | 121-50-6 |
| Molecular Weight (g/mol) | 195.569 |
| MDL Number | MFCD00007673 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N)Cl |
| Synonym | 3-amino-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl aniline,fast orange rd oil,fast orange salt rd,orange salt nrd,benzenamine, 2-chloro-5-trifluoromethyl,fast orange rd salt,daito orange salt rd,diazo fast orange rd,fast orange salt rda |
| IUPAC Name | 2-chloro-5-(trifluoromethyl)aniline |
| InChI Key | VKTTYIXIDXWHKW-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClF3N |
(1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide, 98%
CAS: 52509-14-5 Molecular Formula: C22H22BrO2P Molecular Weight (g/mol): 429.29 MDL Number: MFCD00011966 InChI Key: FRHRVQQUICVJDG-UHFFFAOYSA-M Synonym: 1,3-dioxolan-2-ylmethyl triphenylphosphonium bromide,1,3-dioxolan-2-yl methyl triphenylphosphonium bromide,1,3-dioxolan-2-ylmethyl triphenylphosphanium bromide,phosphonium, 1,3-dioxolan-2-ylmethyl triphenyl-, bromide,1,3-dioxolan-2-yl methyltriphenylphosphonium bromide,1,3-dioxolan-2-ylmethyl triphenyl phosphanium bromide,1,3-dioxolan-2-ylmethyl triphenyl phosphonium bromide,1,3-dioxolan-2-ylmethyl triphenylphosphine, bromide,acmc-209kzy PubChem CID: 2724194 IUPAC Name: 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium;bromide SMILES: [Br-].C(C1OCCO1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2724194 |
|---|---|
| CAS | 52509-14-5 |
| Molecular Weight (g/mol) | 429.29 |
| MDL Number | MFCD00011966 |
| SMILES | [Br-].C(C1OCCO1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1,3-dioxolan-2-ylmethyl triphenylphosphonium bromide,1,3-dioxolan-2-yl methyl triphenylphosphonium bromide,1,3-dioxolan-2-ylmethyl triphenylphosphanium bromide,phosphonium, 1,3-dioxolan-2-ylmethyl triphenyl-, bromide,1,3-dioxolan-2-yl methyltriphenylphosphonium bromide,1,3-dioxolan-2-ylmethyl triphenyl phosphanium bromide,1,3-dioxolan-2-ylmethyl triphenyl phosphonium bromide,1,3-dioxolan-2-ylmethyl triphenylphosphine, bromide,acmc-209kzy |
| IUPAC Name | 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium;bromide |
| InChI Key | FRHRVQQUICVJDG-UHFFFAOYSA-M |
| Molecular Formula | C22H22BrO2P |
4-n-Butoxybenzoic acid, 98%
CAS: 1498-96-0 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00002546 InChI Key: LAUFPZPAKULAGB-UHFFFAOYSA-N Synonym: p-butoxybenzoic acid,4-n-butoxybenzoic acid,benzoic acid, 4-butoxy,benzoic acid, p-butoxy,p-butyloxybenzoic acid,4-butoxy-benzoic acid,4-butyloxybenzoic acid,p-n-butoxybenzoic acid,p-n-butyloxybenzoic acid,4-n-butyloxybenzoic acid PubChem CID: 72971 IUPAC Name: 4-butoxybenzoic acid SMILES: CCCCOC1=CC=C(C=C1)C(=O)O
| PubChem CID | 72971 |
|---|---|
| CAS | 1498-96-0 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00002546 |
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)O |
| Synonym | p-butoxybenzoic acid,4-n-butoxybenzoic acid,benzoic acid, 4-butoxy,benzoic acid, p-butoxy,p-butyloxybenzoic acid,4-butoxy-benzoic acid,4-butyloxybenzoic acid,p-n-butoxybenzoic acid,p-n-butyloxybenzoic acid,4-n-butyloxybenzoic acid |
| IUPAC Name | 4-butoxybenzoic acid |
| InChI Key | LAUFPZPAKULAGB-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
(+/-)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl, 98%
CAS: 153305-67-0 Molecular Formula: C48H40P2 Molecular Weight (g/mol): 678.796 MDL Number: MFCD01311709 InChI Key: IOPQYDKQISFMJI-UHFFFAOYSA-N Synonym: r-tol-binap,s-tol-binap,s---2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,s-t-binap,rac-tol-binap,r-+-2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,tol-binap,s-2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,s-p-tol-binap PubChem CID: 4189906 IUPAC Name: [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane SMILES: CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C
| PubChem CID | 4189906 |
|---|---|
| CAS | 153305-67-0 |
| Molecular Weight (g/mol) | 678.796 |
| MDL Number | MFCD01311709 |
| SMILES | CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C |
| Synonym | r-tol-binap,s-tol-binap,s---2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,s-t-binap,rac-tol-binap,r-+-2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,tol-binap,s-2,2'-bis di-p-tolylphosphino-1,1'-binaphthyl,s-p-tol-binap |
| IUPAC Name | [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane |
| InChI Key | IOPQYDKQISFMJI-UHFFFAOYSA-N |
| Molecular Formula | C48H40P2 |
1-Iodo-4-n-pentylbenzene, 98%
CAS: 85017-60-3 Molecular Formula: C11H15I Molecular Weight (g/mol): 274.145 MDL Number: MFCD00079767 InChI Key: MTRMOYSZRPLAOL-UHFFFAOYSA-N Synonym: 4-iodopentylbenzene,1-iodo-4-n-pentylbenzene,4-pentyliodobenzene,#,1-iodanyl-4-pentyl-benzene PubChem CID: 145057 IUPAC Name: 1-iodo-4-pentylbenzene SMILES: CCCCCC1=CC=C(C=C1)I
| PubChem CID | 145057 |
|---|---|
| CAS | 85017-60-3 |
| Molecular Weight (g/mol) | 274.145 |
| MDL Number | MFCD00079767 |
| SMILES | CCCCCC1=CC=C(C=C1)I |
| Synonym | 4-iodopentylbenzene,1-iodo-4-n-pentylbenzene,4-pentyliodobenzene,#,1-iodanyl-4-pentyl-benzene |
| IUPAC Name | 1-iodo-4-pentylbenzene |
| InChI Key | MTRMOYSZRPLAOL-UHFFFAOYSA-N |
| Molecular Formula | C11H15I |
4-Iodoaniline, 98%
CAS: 540-37-4 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.025 MDL Number: MFCD00007848 InChI Key: VLVCDUSVTXIWGW-UHFFFAOYSA-N Synonym: p-iodoaniline,benzenamine, 4-iodo,4-iodobenzenamine,aniline, p-iodo,p-aminophenyl iodide,aniline, 4-iodo,4-iodo-aniline,4-iodophenylamine,4-iodo-benzenamine,4-iodo-phenylamine PubChem CID: 10893 IUPAC Name: 4-iodoaniline SMILES: C1=CC(=CC=C1N)I
| PubChem CID | 10893 |
|---|---|
| CAS | 540-37-4 |
| Molecular Weight (g/mol) | 219.025 |
| MDL Number | MFCD00007848 |
| SMILES | C1=CC(=CC=C1N)I |
| Synonym | p-iodoaniline,benzenamine, 4-iodo,4-iodobenzenamine,aniline, p-iodo,p-aminophenyl iodide,aniline, 4-iodo,4-iodo-aniline,4-iodophenylamine,4-iodo-benzenamine,4-iodo-phenylamine |
| IUPAC Name | 4-iodoaniline |
| InChI Key | VLVCDUSVTXIWGW-UHFFFAOYSA-N |
| Molecular Formula | C6H6IN |
Methyl 3-methyl-4-nitrobenzoate, 97%
CAS: 24078-21-5 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00085640 InChI Key: IEFONJKJLZFGKQ-UHFFFAOYSA-N Synonym: benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d PubChem CID: 260927 IUPAC Name: methyl 3-methyl-4-nitrobenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]
| PubChem CID | 260927 |
|---|---|
| CAS | 24078-21-5 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD00085640 |
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-] |
| Synonym | benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d |
| IUPAC Name | methyl 3-methyl-4-nitrobenzoate |
| InChI Key | IEFONJKJLZFGKQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride, 99%
CAS: 17823-46-0 Molecular Formula: C7BrF7 Molecular Weight (g/mol): 296.97 MDL Number: MFCD00075240 InChI Key: DONVNRFILRLHJB-UHFFFAOYSA-N Synonym: 1-bromo-2,3,5,6-tetrafluoro-4-trifluoromethyl benzene,4-bromo-2,3,5,6-tetrafluorobenzotrifluoride,p-bromoheptafluorotoluene,4-trifluoromethyl-2,3,5,6-tetrafluorobromobenzene,acmc-209ee7,4-bromoheptafluorotoluene,4-bromo-alpha,alpha,alpha,2,3,5,6-heptafluorotoluene,1-trifluoromethyl-2,3,5,6-tetrafluoro-4-bromobenzene PubChem CID: 626637 IUPAC Name: 1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)C(F)(F)F
| PubChem CID | 626637 |
|---|---|
| CAS | 17823-46-0 |
| Molecular Weight (g/mol) | 296.97 |
| MDL Number | MFCD00075240 |
| SMILES | C1(=C(C(=C(C(=C1F)F)Br)F)F)C(F)(F)F |
| Synonym | 1-bromo-2,3,5,6-tetrafluoro-4-trifluoromethyl benzene,4-bromo-2,3,5,6-tetrafluorobenzotrifluoride,p-bromoheptafluorotoluene,4-trifluoromethyl-2,3,5,6-tetrafluorobromobenzene,acmc-209ee7,4-bromoheptafluorotoluene,4-bromo-alpha,alpha,alpha,2,3,5,6-heptafluorotoluene,1-trifluoromethyl-2,3,5,6-tetrafluoro-4-bromobenzene |
| IUPAC Name | 1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene |
| InChI Key | DONVNRFILRLHJB-UHFFFAOYSA-N |
| Molecular Formula | C7BrF7 |
4-(Difluoromethoxy)aniline, 97%
CAS: 22236-10-8 Molecular Formula: C7H7F2NO Molecular Weight (g/mol): 159.136 MDL Number: MFCD00085005 InChI Key: NDEZTSHWEPQVBX-UHFFFAOYSA-N Synonym: 4-difluoromethoxy aniline,4-difluoromethoxy-phenylamine,p-difluoromethoxyaniline,4-amino-alpha,alpha-difluoroanisole,4-difluoromethoxy benzenamine,benzenamine, 4-difluoromethoxy,4-difluoromethoxy phenylamine,4-difluormethoxy anilin,pubchem8467 PubChem CID: 737363 IUPAC Name: 4-(difluoromethoxy)aniline SMILES: C1=CC(=CC=C1N)OC(F)F
| PubChem CID | 737363 |
|---|---|
| CAS | 22236-10-8 |
| Molecular Weight (g/mol) | 159.136 |
| MDL Number | MFCD00085005 |
| SMILES | C1=CC(=CC=C1N)OC(F)F |
| Synonym | 4-difluoromethoxy aniline,4-difluoromethoxy-phenylamine,p-difluoromethoxyaniline,4-amino-alpha,alpha-difluoroanisole,4-difluoromethoxy benzenamine,benzenamine, 4-difluoromethoxy,4-difluoromethoxy phenylamine,4-difluormethoxy anilin,pubchem8467 |
| IUPAC Name | 4-(difluoromethoxy)aniline |
| InChI Key | NDEZTSHWEPQVBX-UHFFFAOYSA-N |
| Molecular Formula | C7H7F2NO |
1-Difluoromethoxy-3-nitrobenzene, 98%, Thermo Scientific Chemicals
CAS: 22236-07-3 Molecular Formula: C7H5F2NO3 Molecular Weight (g/mol): 189.12 MDL Number: MFCD03407974 InChI Key: NYVCZALWNPMMSQ-UHFFFAOYSA-N Synonym: 1-difluoromethoxy-3-nitrobenzene,3-difluoromethoxy nitrobenzene,benzene, 1-difluoromethoxy-3-nitro,acmc-1coex,nyvczalwnpmmsq-uhfffaoysa,difluoromethyl 3-nitrophenyl ether,3-difluoromethoxy-1-nitrobenzene,3-nitro-1-difluoromethoxy benzene,3-nitro-alpha,alpha-difluoroanisole,alpha,alpha-difluoro-3-nitroanisole PubChem CID: 2774117 IUPAC Name: 1-(difluoromethoxy)-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(OC(F)F)=C1
| PubChem CID | 2774117 |
|---|---|
| CAS | 22236-07-3 |
| Molecular Weight (g/mol) | 189.12 |
| MDL Number | MFCD03407974 |
| SMILES | [O-][N+](=O)C1=CC=CC(OC(F)F)=C1 |
| Synonym | 1-difluoromethoxy-3-nitrobenzene,3-difluoromethoxy nitrobenzene,benzene, 1-difluoromethoxy-3-nitro,acmc-1coex,nyvczalwnpmmsq-uhfffaoysa,difluoromethyl 3-nitrophenyl ether,3-difluoromethoxy-1-nitrobenzene,3-nitro-1-difluoromethoxy benzene,3-nitro-alpha,alpha-difluoroanisole,alpha,alpha-difluoro-3-nitroanisole |
| IUPAC Name | 1-(difluoromethoxy)-3-nitrobenzene |
| InChI Key | NYVCZALWNPMMSQ-UHFFFAOYSA-N |
| Molecular Formula | C7H5F2NO3 |
2-Ethoxybenzoic Acid, Spectrum™ Chemical
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CAS: 134-11-2
| CAS | 134-11-2 |
|---|
Benzenesulfonyl hydrazide, 98%
CAS: 80-17-1 Molecular Formula: C6H8N2O2S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00007583,MFCD08064450 InChI Key: VJRITMATACIYAF-UHFFFAOYSA-N Synonym: benzenesulfonyl hydrazide,porofor,benzenesulfonic acid, hydrazide,porofor bsh,benzenesulfohydrazide,phenylsulfonylhydrazine,genitron bsh,celogen bsh,benzenesulfonylhydrazine,phenylsulfohydrazide PubChem CID: 65723 IUPAC Name: benzenesulfonohydrazide SMILES: NNS(=O)(=O)C1=CC=CC=C1
| PubChem CID | 65723 |
|---|---|
| CAS | 80-17-1 |
| Molecular Weight (g/mol) | 172.20 |
| MDL Number | MFCD00007583,MFCD08064450 |
| SMILES | NNS(=O)(=O)C1=CC=CC=C1 |
| Synonym | benzenesulfonyl hydrazide,porofor,benzenesulfonic acid, hydrazide,porofor bsh,benzenesulfohydrazide,phenylsulfonylhydrazine,genitron bsh,celogen bsh,benzenesulfonylhydrazine,phenylsulfohydrazide |
| IUPAC Name | benzenesulfonohydrazide |
| InChI Key | VJRITMATACIYAF-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2S |
4-Dimethylamino-2-methoxybenzaldehyde, 98%
CAS: 84562-48-1 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00151814 InChI Key: HGDRXADJVGVGBC-UHFFFAOYSA-N PubChem CID: 291350 IUPAC Name: 4-(dimethylamino)-2-methoxybenzaldehyde SMILES: CN(C)C1=CC(=C(C=C1)C=O)OC
| PubChem CID | 291350 |
|---|---|
| CAS | 84562-48-1 |
| Molecular Weight (g/mol) | 179.219 |
| MDL Number | MFCD00151814 |
| SMILES | CN(C)C1=CC(=C(C=C1)C=O)OC |
| IUPAC Name | 4-(dimethylamino)-2-methoxybenzaldehyde |
| InChI Key | HGDRXADJVGVGBC-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |