Benzene and substituted derivatives
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2-Bromobenzaldehyde 98.0+%, TCI America™
CAS: 6630-33-7 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003300 InChI Key: NDOPHXWIAZIXPR-UHFFFAOYSA-N Synonym: o-bromobenzaldehyde,benzaldehyde, 2-bromo,benzaldehyde, o-bromo,2-bromo benzaldehyde,bromobenzaldehyde,bromo benzaldehyde,o-bromo-benzaldehyde,2-formylbromobenzene,2-bromo-benzaldehyde,benzaldehyde, bromo PubChem CID: 81129 IUPAC Name: 2-bromobenzaldehyde SMILES: BrC1=CC=CC=C1C=O
| PubChem CID | 81129 |
|---|---|
| CAS | 6630-33-7 |
| Molecular Weight (g/mol) | 185.02 |
| MDL Number | MFCD00003300 |
| SMILES | BrC1=CC=CC=C1C=O |
| Synonym | o-bromobenzaldehyde,benzaldehyde, 2-bromo,benzaldehyde, o-bromo,2-bromo benzaldehyde,bromobenzaldehyde,bromo benzaldehyde,o-bromo-benzaldehyde,2-formylbromobenzene,2-bromo-benzaldehyde,benzaldehyde, bromo |
| IUPAC Name | 2-bromobenzaldehyde |
| InChI Key | NDOPHXWIAZIXPR-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO |
2,4-Dibromobenzyl Alcohol 98.0+%, TCI America™
CAS: 666747-06-4 Molecular Formula: C7H6Br2O Molecular Weight (g/mol): 265.93 MDL Number: MFCD09996906 InChI Key: VXEVXBMLHQPKGA-UHFFFAOYSA-N Synonym: 2,4-dibromophenyl methanol,2,4-dibromobenzyl alcohol,benzenemethanol, 2,4-dibromo,2,4-dibromobenzenemethanol,benzenemethanol,2,4-dibromo,pubchem9781,2,4-dibromobenzylalcohol,acmc-1bfu5,2,4-bis bromanyl phenyl methanol PubChem CID: 17836195 IUPAC Name: (2,4-dibromophenyl)methanol SMILES: OCC1=C(Br)C=C(Br)C=C1
| PubChem CID | 17836195 |
|---|---|
| CAS | 666747-06-4 |
| Molecular Weight (g/mol) | 265.93 |
| MDL Number | MFCD09996906 |
| SMILES | OCC1=C(Br)C=C(Br)C=C1 |
| Synonym | 2,4-dibromophenyl methanol,2,4-dibromobenzyl alcohol,benzenemethanol, 2,4-dibromo,2,4-dibromobenzenemethanol,benzenemethanol,2,4-dibromo,pubchem9781,2,4-dibromobenzylalcohol,acmc-1bfu5,2,4-bis bromanyl phenyl methanol |
| IUPAC Name | (2,4-dibromophenyl)methanol |
| InChI Key | VXEVXBMLHQPKGA-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2O |
4-(Trifluoromethyl)phenyl Isocyanate 98.0+%, TCI America™
CAS: 1548-13-6 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.12 MDL Number: MFCD00002028 InChI Key: QZTWVDCKDWZCLV-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenyl isocyanate,1-isocyanato-4-trifluoromethyl benzene,alpha,alpha,alpha-trifluoro-p-tolyl isocyanate,4-trifluoromethyl phenylisocyanate,4-isocyanatobenzotrifluoride,4-trifluoromethylphenyl isocyanate,benzene, 1-isocyanato-4-trifluoromethyl,p-trifluoromethylphenyl isocyanate,isocyanic acid 4-trifluoromethyl phenyl ester,4-trifluoromethyl benzenisocyanate PubChem CID: 73768 IUPAC Name: 1-isocyanato-4-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=C(C=C1)N=C=O
| PubChem CID | 73768 |
|---|---|
| CAS | 1548-13-6 |
| Molecular Weight (g/mol) | 187.12 |
| MDL Number | MFCD00002028 |
| SMILES | FC(F)(F)C1=CC=C(C=C1)N=C=O |
| Synonym | 4-trifluoromethyl phenyl isocyanate,1-isocyanato-4-trifluoromethyl benzene,alpha,alpha,alpha-trifluoro-p-tolyl isocyanate,4-trifluoromethyl phenylisocyanate,4-isocyanatobenzotrifluoride,4-trifluoromethylphenyl isocyanate,benzene, 1-isocyanato-4-trifluoromethyl,p-trifluoromethylphenyl isocyanate,isocyanic acid 4-trifluoromethyl phenyl ester,4-trifluoromethyl benzenisocyanate |
| IUPAC Name | 1-isocyanato-4-(trifluoromethyl)benzene |
| InChI Key | QZTWVDCKDWZCLV-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO |
3-Bromo-5-nitrobenzoic Acid 98.0+%, TCI America™
CAS: 6307-83-1 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00100098 InChI Key: AXRKIZCFYZBBPX-UHFFFAOYSA-N Synonym: 3-bromo-5-nitrobenzoic acid,5-bromo-3-nitrobenzoic acid,benzoic acid, 3-bromo-5-nitro,3-bromo-5-nitro-benzoic acid,3-bromo-5-nitrobenzoicacid,pubchem4734,acmc-209ncw,ksc357s4t,3-bromo-5-nitro benzoic acid PubChem CID: 239336 SMILES: C1=C(C=C(C=C1[N+](=O)[O-])Br)C(=O)O
| PubChem CID | 239336 |
|---|---|
| CAS | 6307-83-1 |
| Molecular Weight (g/mol) | 246.016 |
| MDL Number | MFCD00100098 |
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])Br)C(=O)O |
| Synonym | 3-bromo-5-nitrobenzoic acid,5-bromo-3-nitrobenzoic acid,benzoic acid, 3-bromo-5-nitro,3-bromo-5-nitro-benzoic acid,3-bromo-5-nitrobenzoicacid,pubchem4734,acmc-209ncw,ksc357s4t,3-bromo-5-nitro benzoic acid |
| InChI Key | AXRKIZCFYZBBPX-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO4 |
p-Xylylene Dicyanide 98.0+%, TCI America™
CAS: 622-75-3 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.188 MDL Number: MFCD00001923 InChI Key: FUQCKESKNZBNOG-UHFFFAOYSA-N Synonym: 1,4-phenylenediacetonitrile,1,4-benzenediacetonitrile,p-xylylene dicyanide,p-phenylenediacetonitrile,p-benzenediacetonitrile,2,2'-1,4-phenylene diacetonitrile,p-bis cyanomethyl benzene,1,4-bis cyanomethyl benzene,p-cyanomethyl benzyl cyanide,2-4-cyanomethyl phenyl acetonitrile PubChem CID: 69327 IUPAC Name: 2-[4-(cyanomethyl)phenyl]acetonitrile SMILES: C1=CC(=CC=C1CC#N)CC#N
| PubChem CID | 69327 |
|---|---|
| CAS | 622-75-3 |
| Molecular Weight (g/mol) | 156.188 |
| MDL Number | MFCD00001923 |
| SMILES | C1=CC(=CC=C1CC#N)CC#N |
| Synonym | 1,4-phenylenediacetonitrile,1,4-benzenediacetonitrile,p-xylylene dicyanide,p-phenylenediacetonitrile,p-benzenediacetonitrile,2,2'-1,4-phenylene diacetonitrile,p-bis cyanomethyl benzene,1,4-bis cyanomethyl benzene,p-cyanomethyl benzyl cyanide,2-4-cyanomethyl phenyl acetonitrile |
| IUPAC Name | 2-[4-(cyanomethyl)phenyl]acetonitrile |
| InChI Key | FUQCKESKNZBNOG-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2 |
2-Nitrobenzenesulfonamide 98.0+%, TCI America™
CAS: 5455-59-4 Molecular Formula: C6H6N2O4S Molecular Weight (g/mol): 202.18 MDL Number: MFCD00009807 InChI Key: GNDKYAWHEKZHPJ-UHFFFAOYSA-N Synonym: 2-nitrobenzene-1-sulfonamide,2-nitrobenzenesulphonamide,2-nitro-benzenesulfonamide,nitrobenzenesulfonamide,2-nitrophenylsulfonamide,2-sulphamoylnitrobenzene,acmc-209lhg,2-nitrobenzene-sulfonamide,2-nitro benzene sulphonamide,ksc490i0n PubChem CID: 138510 IUPAC Name: 2-nitrobenzene-1-sulfonamide SMILES: NS(=O)(=O)C1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 138510 |
|---|---|
| CAS | 5455-59-4 |
| Molecular Weight (g/mol) | 202.18 |
| MDL Number | MFCD00009807 |
| SMILES | NS(=O)(=O)C1=CC=CC=C1[N+]([O-])=O |
| Synonym | 2-nitrobenzene-1-sulfonamide,2-nitrobenzenesulphonamide,2-nitro-benzenesulfonamide,nitrobenzenesulfonamide,2-nitrophenylsulfonamide,2-sulphamoylnitrobenzene,acmc-209lhg,2-nitrobenzene-sulfonamide,2-nitro benzene sulphonamide,ksc490i0n |
| IUPAC Name | 2-nitrobenzene-1-sulfonamide |
| InChI Key | GNDKYAWHEKZHPJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O4S |
4-Methoxyphthalic Acid 98.0+%, TCI America™
CAS: 1885-13-8 Molecular Formula: C9H8O5 Molecular Weight (g/mol): 196.16 MDL Number: MFCD00094739 InChI Key: JKZSIEDAEHZAHQ-UHFFFAOYSA-N PubChem CID: 74665 IUPAC Name: 4-methoxybenzene-1,2-dicarboxylic acid SMILES: COC1=CC=C(C(O)=O)C(=C1)C(O)=O
| PubChem CID | 74665 |
|---|---|
| CAS | 1885-13-8 |
| Molecular Weight (g/mol) | 196.16 |
| MDL Number | MFCD00094739 |
| SMILES | COC1=CC=C(C(O)=O)C(=C1)C(O)=O |
| IUPAC Name | 4-methoxybenzene-1,2-dicarboxylic acid |
| InChI Key | JKZSIEDAEHZAHQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O5 |
2,3,6-Trimethoxybenzoic Acid 98.0+%, TCI America™
CAS: 60241-74-9 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.201 MDL Number: MFCD00092587 InChI Key: NSKSXYUOXAQHCH-UHFFFAOYSA-N PubChem CID: 611400 IUPAC Name: 2,3,6-trimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)OC)OC)C(=O)O
| PubChem CID | 611400 |
|---|---|
| CAS | 60241-74-9 |
| Molecular Weight (g/mol) | 212.201 |
| MDL Number | MFCD00092587 |
| SMILES | COC1=C(C(=C(C=C1)OC)OC)C(=O)O |
| IUPAC Name | 2,3,6-trimethoxybenzoic acid |
| InChI Key | NSKSXYUOXAQHCH-UHFFFAOYSA-N |
| Molecular Formula | C10H12O5 |
2-Methyl-5-nitrobenzaldehyde 98.0+%, TCI America™
CAS: 16634-91-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD03840506 InChI Key: JLFWTLNLOSUFMU-UHFFFAOYSA-N PubChem CID: 12654145 IUPAC Name: 2-methyl-5-nitrobenzaldehyde SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C=O
| PubChem CID | 12654145 |
|---|---|
| CAS | 16634-91-6 |
| Molecular Weight (g/mol) | 165.148 |
| MDL Number | MFCD03840506 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])C=O |
| IUPAC Name | 2-methyl-5-nitrobenzaldehyde |
| InChI Key | JLFWTLNLOSUFMU-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
m-(4-Fluorophenoxy)toluene 97.0+%, TCI America™
CAS: 1514-26-7 Molecular Formula: C13H11FO Molecular Weight (g/mol): 202.228 MDL Number: MFCD01321168 InChI Key: APVQRVSBMIDSFS-UHFFFAOYSA-N Synonym: 4-Fluoro-3′C-methyldiphenyl Ether, 4-Fluorophenyl m-Tolyl Ether PubChem CID: 20068801 IUPAC Name: 1-fluoro-4-(3-methylphenoxy)benzene SMILES: CC1=CC(=CC=C1)OC2=CC=C(C=C2)F
| PubChem CID | 20068801 |
|---|---|
| CAS | 1514-26-7 |
| Molecular Weight (g/mol) | 202.228 |
| MDL Number | MFCD01321168 |
| SMILES | CC1=CC(=CC=C1)OC2=CC=C(C=C2)F |
| Synonym | 4-Fluoro-3′C-methyldiphenyl Ether, 4-Fluorophenyl m-Tolyl Ether |
| IUPAC Name | 1-fluoro-4-(3-methylphenoxy)benzene |
| InChI Key | APVQRVSBMIDSFS-UHFFFAOYSA-N |
| Molecular Formula | C13H11FO |
Pentafluorophenyl Trifluoromethanesulfonate 97.0+%, TCI America™
CAS: 60129-85-3 Molecular Formula: C7F8O3S Molecular Weight (g/mol): 316.121 MDL Number: MFCD07784319 InChI Key: OTTBRWDUQHDNBY-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid Pentafluorophenyl Ester, Pentafluorophenyl Triflate PubChem CID: 10041425 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) trifluoromethanesulfonate SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)OS(=O)(=O)C(F)(F)F
| PubChem CID | 10041425 |
|---|---|
| CAS | 60129-85-3 |
| Molecular Weight (g/mol) | 316.121 |
| MDL Number | MFCD07784319 |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)OS(=O)(=O)C(F)(F)F |
| Synonym | Trifluoromethanesulfonic Acid Pentafluorophenyl Ester, Pentafluorophenyl Triflate |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl) trifluoromethanesulfonate |
| InChI Key | OTTBRWDUQHDNBY-UHFFFAOYSA-N |
| Molecular Formula | C7F8O3S |
Pinostilbene 97.0+%, TCI America™
CAS: 42438-89-1 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD12407153,MFCD20527315 InChI Key: KUWZXOMQXYWKBS-UHFFFAOYSA-N Synonym: 3,4′C-Dihydroxy-5-methoxy-trans-stilbene PubChem CID: 5473050 ChEBI: CHEBI:63672 IUPAC Name: 3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol SMILES: COC1=CC(C=CC2=CC=C(O)C=C2)=CC(O)=C1
| PubChem CID | 5473050 |
|---|---|
| CAS | 42438-89-1 |
| Molecular Weight (g/mol) | 242.27 |
| ChEBI | CHEBI:63672 |
| MDL Number | MFCD12407153,MFCD20527315 |
| SMILES | COC1=CC(C=CC2=CC=C(O)C=C2)=CC(O)=C1 |
| Synonym | 3,4′C-Dihydroxy-5-methoxy-trans-stilbene |
| IUPAC Name | 3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol |
| InChI Key | KUWZXOMQXYWKBS-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
2-Chloro-6-methylbenzoic Acid 98.0+%, TCI America™
CAS: 21327-86-6 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00045799 InChI Key: CEFMMQYDPGCYMG-UHFFFAOYSA-N Synonym: 6-chloro-o-toluic acid,2-chloro-6-methyl-benzoic acid,o-toluic acid, 6-chloro,2-chloro-6-methylbenzoicacid,benzoic acid, 2-chloro-6-methyl,benzoic acid, 6-chloro-4-methyl,6-chloro-2-methylbenzoic acid,pubchem4568,chloro-6-methylbenzoic acid,2-m-tolyloxymethyl oxirane PubChem CID: 88870 IUPAC Name: 2-chloro-6-methylbenzoic acid SMILES: CC1=C(C(=CC=C1)Cl)C(=O)O
| PubChem CID | 88870 |
|---|---|
| CAS | 21327-86-6 |
| Molecular Weight (g/mol) | 170.592 |
| MDL Number | MFCD00045799 |
| SMILES | CC1=C(C(=CC=C1)Cl)C(=O)O |
| Synonym | 6-chloro-o-toluic acid,2-chloro-6-methyl-benzoic acid,o-toluic acid, 6-chloro,2-chloro-6-methylbenzoicacid,benzoic acid, 2-chloro-6-methyl,benzoic acid, 6-chloro-4-methyl,6-chloro-2-methylbenzoic acid,pubchem4568,chloro-6-methylbenzoic acid,2-m-tolyloxymethyl oxirane |
| IUPAC Name | 2-chloro-6-methylbenzoic acid |
| InChI Key | CEFMMQYDPGCYMG-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
N-Phenylmethanesulfonamide 98.0+%, TCI America™
CAS: 1197-22-4 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.21 MDL Number: MFCD00043782 InChI Key: LBTPIFQNEKOAIM-UHFFFAOYSA-N Synonym: methanesulfonamide, n-phenyl,methanesulfonanilide,methanesulfanilide,mesylaniline,n-mesylaniline,n-methylsulphonylaniline,n-phenyl-methanesulfonamide,methylsulfonyl phenylamine,mesylanilide,methylsulfonyl aniline PubChem CID: 70970 IUPAC Name: N-phenylmethanesulfonamide SMILES: CS(=O)(=O)NC1=CC=CC=C1
| PubChem CID | 70970 |
|---|---|
| CAS | 1197-22-4 |
| Molecular Weight (g/mol) | 171.21 |
| MDL Number | MFCD00043782 |
| SMILES | CS(=O)(=O)NC1=CC=CC=C1 |
| Synonym | methanesulfonamide, n-phenyl,methanesulfonanilide,methanesulfanilide,mesylaniline,n-mesylaniline,n-methylsulphonylaniline,n-phenyl-methanesulfonamide,methylsulfonyl phenylamine,mesylanilide,methylsulfonyl aniline |
| IUPAC Name | N-phenylmethanesulfonamide |
| InChI Key | LBTPIFQNEKOAIM-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO2S |
1-Fluoro-2-(trifluoromethoxy)benzene 98.0+%, TCI America™
CAS: 2106-18-5 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.102 MDL Number: MFCD00236322 InChI Key: UKRYEFFTFFRSPY-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy fluorobenzene,1-fluoro-2-trifluoromethoxy benzene,2-fluorotrifluoromethoxybenzene,alpha,alpha,alpha,2-tetrafluoroanisole,benzene, fluoro trifluoromethoxy,2-fluorophenyl trifluoromethyl ether,trifluoro 2-fluorophenoxy methane,otf-byl,pubchem10392 PubChem CID: 2777283 IUPAC Name: 1-fluoro-2-(trifluoromethoxy)benzene SMILES: C1=CC=C(C(=C1)OC(F)(F)F)F
| PubChem CID | 2777283 |
|---|---|
| CAS | 2106-18-5 |
| Molecular Weight (g/mol) | 180.102 |
| MDL Number | MFCD00236322 |
| SMILES | C1=CC=C(C(=C1)OC(F)(F)F)F |
| Synonym | 2-trifluoromethoxy fluorobenzene,1-fluoro-2-trifluoromethoxy benzene,2-fluorotrifluoromethoxybenzene,alpha,alpha,alpha,2-tetrafluoroanisole,benzene, fluoro trifluoromethoxy,2-fluorophenyl trifluoromethyl ether,trifluoro 2-fluorophenoxy methane,otf-byl,pubchem10392 |
| IUPAC Name | 1-fluoro-2-(trifluoromethoxy)benzene |
| InChI Key | UKRYEFFTFFRSPY-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4O |