Benzene and substituted derivatives
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Benzylamine, 99%, pure
CAS: 100-46-9 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.15 MDL Number: MFCD00008106 InChI Key: WGQKYBSKWIADBV-UHFFFAOYSA-N Synonym: benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine PubChem CID: 7504 ChEBI: CHEBI:40538 IUPAC Name: phenylmethanamine SMILES: C1=CC=C(C=C1)CN
| PubChem CID | 7504 |
|---|---|
| CAS | 100-46-9 |
| Molecular Weight (g/mol) | 107.15 |
| ChEBI | CHEBI:40538 |
| MDL Number | MFCD00008106 |
| SMILES | C1=CC=C(C=C1)CN |
| Synonym | benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine |
| IUPAC Name | phenylmethanamine |
| InChI Key | WGQKYBSKWIADBV-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
Benzoylformic acid, 97%
CAS: 611-73-4 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.13 MDL Number: MFCD00002575 InChI Key: FAQJJMHZNSSFSM-UHFFFAOYSA-N Synonym: benzoylformic acid,phenylglyoxylic acid,oxophenylacetic acid,benzeneglyoxylic acid,phenylgloxylic acid,2-phenylethanoic acid,oxo phenyl acetic acid,benzoylformate,phenylglyoxalate,phenyloxoacetic acid PubChem CID: 11915 ChEBI: CHEBI:18280 IUPAC Name: 2-oxo-2-phenylacetic acid SMILES: OC(=O)C(=O)C1=CC=CC=C1
| PubChem CID | 11915 |
|---|---|
| CAS | 611-73-4 |
| Molecular Weight (g/mol) | 150.13 |
| ChEBI | CHEBI:18280 |
| MDL Number | MFCD00002575 |
| SMILES | OC(=O)C(=O)C1=CC=CC=C1 |
| Synonym | benzoylformic acid,phenylglyoxylic acid,oxophenylacetic acid,benzeneglyoxylic acid,phenylgloxylic acid,2-phenylethanoic acid,oxo phenyl acetic acid,benzoylformate,phenylglyoxalate,phenyloxoacetic acid |
| IUPAC Name | 2-oxo-2-phenylacetic acid |
| InChI Key | FAQJJMHZNSSFSM-UHFFFAOYSA-N |
| Molecular Formula | C8H6O3 |
3-Chlorobenzoyl chloride, 97%
CAS: 618-46-2 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00000671 InChI Key: WHIHIKVIWVIIER-UHFFFAOYSA-N Synonym: m-chlorobenzoyl chloride,benzoyl chloride, 3-chloro,benzoyl chloride, m-chloro,m-chlorobenzoylchloride,3-chlorobenzoylchloride,benzoylchloride, 3-chloro,mcoc,3-chlorobenzoic acid chloride,ccris 8615,3chlorobenzoyl chloride PubChem CID: 69252 IUPAC Name: 3-chlorobenzoyl chloride SMILES: ClC(=O)C1=CC=CC(Cl)=C1
| PubChem CID | 69252 |
|---|---|
| CAS | 618-46-2 |
| Molecular Weight (g/mol) | 175.01 |
| MDL Number | MFCD00000671 |
| SMILES | ClC(=O)C1=CC=CC(Cl)=C1 |
| Synonym | m-chlorobenzoyl chloride,benzoyl chloride, 3-chloro,benzoyl chloride, m-chloro,m-chlorobenzoylchloride,3-chlorobenzoylchloride,benzoylchloride, 3-chloro,mcoc,3-chlorobenzoic acid chloride,ccris 8615,3chlorobenzoyl chloride |
| IUPAC Name | 3-chlorobenzoyl chloride |
| InChI Key | WHIHIKVIWVIIER-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
Terephthalaldehyde, 98%
CAS: 623-27-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.134 MDL Number: MFCD00006949 InChI Key: KUCOHFSKRZZVRO-UHFFFAOYSA-N Synonym: 1,4-benzenedicarboxaldehyde,p-phthalaldehyde,terephthaldehyde,terephthaldialdehyde,terephthaladehyde,terephthaldicarboxaldehyde,terephthalic aldehyde,1,4-phthalaldehyde,p-formylbenzaldehyde,terephtaldehyde PubChem CID: 12173 IUPAC Name: terephthalaldehyde SMILES: C1=CC(=CC=C1C=O)C=O
| PubChem CID | 12173 |
|---|---|
| CAS | 623-27-8 |
| Molecular Weight (g/mol) | 134.134 |
| MDL Number | MFCD00006949 |
| SMILES | C1=CC(=CC=C1C=O)C=O |
| Synonym | 1,4-benzenedicarboxaldehyde,p-phthalaldehyde,terephthaldehyde,terephthaldialdehyde,terephthaladehyde,terephthaldicarboxaldehyde,terephthalic aldehyde,1,4-phthalaldehyde,p-formylbenzaldehyde,terephtaldehyde |
| IUPAC Name | terephthalaldehyde |
| InChI Key | KUCOHFSKRZZVRO-UHFFFAOYSA-N |
| Molecular Formula | C8H6O2 |
(Methoxycarbonylmethyl)triphenylphosphonium bromide, 98+%
CAS: 1779-58-4 Molecular Formula: C21H20BrO2P Molecular Weight (g/mol): 415.27 MDL Number: MFCD00011801 InChI Key: VCWBQLMDSMSVRL-UHFFFAOYSA-M Synonym: 2-methoxy-2-oxoethyl triphenylphosphonium bromide,methoxycarbonylmethyl triphenylphosphonium bromide,carbomethoxymethyl triphenylphosphonium bromide,methoxycarbonylmethyl triphenyl phosphonium bromide,2-methoxy-2-oxoethyl triphenylphosphanium bromide,2-methoxy-2-oxoethyl-triphenylphosphanium bromide,2-methoxy-2-oxo-ethyl-triphenyl-phosphonium bromide,phosphonium, 2-methoxy-2-oxoethyl triphenyl-, bromide,acmc-209edx PubChem CID: 2733211 IUPAC Name: (2-methoxy-2-oxoethyl)-triphenylphosphanium;bromide SMILES: [Br-].COC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2733211 |
|---|---|
| CAS | 1779-58-4 |
| Molecular Weight (g/mol) | 415.27 |
| MDL Number | MFCD00011801 |
| SMILES | [Br-].COC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-methoxy-2-oxoethyl triphenylphosphonium bromide,methoxycarbonylmethyl triphenylphosphonium bromide,carbomethoxymethyl triphenylphosphonium bromide,methoxycarbonylmethyl triphenyl phosphonium bromide,2-methoxy-2-oxoethyl triphenylphosphanium bromide,2-methoxy-2-oxoethyl-triphenylphosphanium bromide,2-methoxy-2-oxo-ethyl-triphenyl-phosphonium bromide,phosphonium, 2-methoxy-2-oxoethyl triphenyl-, bromide,acmc-209edx |
| IUPAC Name | (2-methoxy-2-oxoethyl)-triphenylphosphanium;bromide |
| InChI Key | VCWBQLMDSMSVRL-UHFFFAOYSA-M |
| Molecular Formula | C21H20BrO2P |
2-Fluorophenylhydrazine hydrochloride, 98%
CAS: 2924-15-4 Molecular Formula: C6H8ClFN2 Molecular Weight (g/mol): 162.592 MDL Number: MFCD00012927 InChI Key: VFZYLSYYMHFPSY-UHFFFAOYSA-N Synonym: 2-fluorophenylhydrazine hydrochloride,2-fluorophenyl hydrazine hydrochloride,2-fluorophenylhydrazine hcl,2-fluorophenylhydrazinehydrochloride,o-fluorophenylhydrazine hydrochloride,hydrazine, 2-fluorophenyl-, monohydrochloride,1-2-fluorophenyl hydrazine hydrochloride,pubchem3347,c6h7fn2.hcl,acmc-209h7m PubChem CID: 2723910 IUPAC Name: (2-fluorophenyl)hydrazine;hydrochloride SMILES: C1=CC=C(C(=C1)NN)F.Cl
| PubChem CID | 2723910 |
|---|---|
| CAS | 2924-15-4 |
| Molecular Weight (g/mol) | 162.592 |
| MDL Number | MFCD00012927 |
| SMILES | C1=CC=C(C(=C1)NN)F.Cl |
| Synonym | 2-fluorophenylhydrazine hydrochloride,2-fluorophenyl hydrazine hydrochloride,2-fluorophenylhydrazine hcl,2-fluorophenylhydrazinehydrochloride,o-fluorophenylhydrazine hydrochloride,hydrazine, 2-fluorophenyl-, monohydrochloride,1-2-fluorophenyl hydrazine hydrochloride,pubchem3347,c6h7fn2.hcl,acmc-209h7m |
| IUPAC Name | (2-fluorophenyl)hydrazine;hydrochloride |
| InChI Key | VFZYLSYYMHFPSY-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClFN2 |
3,5-Dichlorobenzylamine, 94%
CAS: 39989-43-0 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00052681 InChI Key: ICIJWOWQUHHETJ-UHFFFAOYSA-N Synonym: 3,5-dichlorobenzylamine,3,5-dichlorophenyl methanamine,benzenemethanamine, 3,5-dichloro,3,5-dichloro-benzylamine,1-3,5-dichlorophenyl methanamine,3,5-dichlorophenyl methylamine,pubchem23431,3.5-dichlorobenzylamine,acmc-1cthv,integrase inhibitor, r1 4 PubChem CID: 457602 SMILES: NCC1=CC(Cl)=CC(Cl)=C1
| PubChem CID | 457602 |
|---|---|
| CAS | 39989-43-0 |
| Molecular Weight (g/mol) | 176.04 |
| MDL Number | MFCD00052681 |
| SMILES | NCC1=CC(Cl)=CC(Cl)=C1 |
| Synonym | 3,5-dichlorobenzylamine,3,5-dichlorophenyl methanamine,benzenemethanamine, 3,5-dichloro,3,5-dichloro-benzylamine,1-3,5-dichlorophenyl methanamine,3,5-dichlorophenyl methylamine,pubchem23431,3.5-dichlorobenzylamine,acmc-1cthv,integrase inhibitor, r1 4 |
| InChI Key | ICIJWOWQUHHETJ-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl2N |
2,6-Difluorobenzyl bromide, 96%
CAS: 85118-00-9 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.02 MDL Number: MFCD00000329 InChI Key: LSXJPJGBWSZHTM-UHFFFAOYSA-N Synonym: 2,6-difluorobenzyl bromide,2-bromomethyl-1,3-difluorobenzene,2,6-difluorobenzylbromide,alpha-bromo-2,6-difluorotoluene,benzene, 2-bromomethyl-1,3-difluoro,timtec-bb sbb006564,2-bromomethyl-1,3-difluoro-benzene,fr cf b1e,pubchem4915,acmc-209q4j PubChem CID: 581435 IUPAC Name: 2-(bromomethyl)-1,3-difluorobenzene SMILES: FC1=CC=CC(F)=C1CBr
| PubChem CID | 581435 |
|---|---|
| CAS | 85118-00-9 |
| Molecular Weight (g/mol) | 207.02 |
| MDL Number | MFCD00000329 |
| SMILES | FC1=CC=CC(F)=C1CBr |
| Synonym | 2,6-difluorobenzyl bromide,2-bromomethyl-1,3-difluorobenzene,2,6-difluorobenzylbromide,alpha-bromo-2,6-difluorotoluene,benzene, 2-bromomethyl-1,3-difluoro,timtec-bb sbb006564,2-bromomethyl-1,3-difluoro-benzene,fr cf b1e,pubchem4915,acmc-209q4j |
| IUPAC Name | 2-(bromomethyl)-1,3-difluorobenzene |
| InChI Key | LSXJPJGBWSZHTM-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF2 |
Methyl 4-bromobenzoate, 99%
CAS: 619-42-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00013531 InChI Key: CZNGTXVOZOWWKM-UHFFFAOYSA-N Synonym: benzoic acid, 4-bromo-, methyl ester,methyl p-bromobenzoate,4-bromobenzoic acid methyl ester,p-bromobenzoic acid, methyl ester,unii-ub1ysj5xar,ub1ysj5xar,benzoic acid, p-bromo-, methyl ester,pubchem3962,methyl-4-bromobenzoate,methyl p-bromo benzoate PubChem CID: 12081 IUPAC Name: methyl 4-bromobenzoate SMILES: COC(=O)C1=CC=C(C=C1)Br
| PubChem CID | 12081 |
|---|---|
| CAS | 619-42-1 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00013531 |
| SMILES | COC(=O)C1=CC=C(C=C1)Br |
| Synonym | benzoic acid, 4-bromo-, methyl ester,methyl p-bromobenzoate,4-bromobenzoic acid methyl ester,p-bromobenzoic acid, methyl ester,unii-ub1ysj5xar,ub1ysj5xar,benzoic acid, p-bromo-, methyl ester,pubchem3962,methyl-4-bromobenzoate,methyl p-bromo benzoate |
| IUPAC Name | methyl 4-bromobenzoate |
| InChI Key | CZNGTXVOZOWWKM-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
3-Isopropylbenzeneboronic acid, 99%
CAS: 216019-28-2 Molecular Formula: C9H13BO2 Molecular Weight (g/mol): 164.01 MDL Number: MFCD01074634 InChI Key: QSWLFBMVIGQONC-UHFFFAOYSA-N Synonym: 3-isopropylphenylboronic acid,3-isopropylbenzeneboronic acid,3-cumylboronic acid,3-isopropylphenyl boronic acid,3-isopropylphebylboronic acid,3-propan-2-yl phenyl boranediol,boronic acid, 3-1-methylethyl phenyl,boronic acid, b-3-propylphenyl,3-propan-2-yl phenyl boronic acid,3-propan-2-ylphenyl boronic acid PubChem CID: 2773478 IUPAC Name: (3-propan-2-ylphenyl)boronic acid SMILES: CC(C)C1=CC=CC(=C1)B(O)O
| PubChem CID | 2773478 |
|---|---|
| CAS | 216019-28-2 |
| Molecular Weight (g/mol) | 164.01 |
| MDL Number | MFCD01074634 |
| SMILES | CC(C)C1=CC=CC(=C1)B(O)O |
| Synonym | 3-isopropylphenylboronic acid,3-isopropylbenzeneboronic acid,3-cumylboronic acid,3-isopropylphenyl boronic acid,3-isopropylphebylboronic acid,3-propan-2-yl phenyl boranediol,boronic acid, 3-1-methylethyl phenyl,boronic acid, b-3-propylphenyl,3-propan-2-yl phenyl boronic acid,3-propan-2-ylphenyl boronic acid |
| IUPAC Name | (3-propan-2-ylphenyl)boronic acid |
| InChI Key | QSWLFBMVIGQONC-UHFFFAOYSA-N |
| Molecular Formula | C9H13BO2 |
2-Iodophenylacetic acid, 98+%, Thermo Scientific Chemicals
CAS: 18698-96-9 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.046 MDL Number: MFCD00046546 InChI Key: IUHXGZHKSYYDIL-UHFFFAOYSA-N Synonym: 2-iodophenylacetic acid,2-2-iodophenyl acetic acid,benzeneacetic acid, 2-iodo,2-iodophenyl acetic acid,o-iodophenylacetic acid,2-iodobenzeneacetic acid,2-iodophenylaceticacid,pubchem2552,acmc-209eox,maybridge1_005605 PubChem CID: 2780090 IUPAC Name: 2-(2-iodophenyl)acetic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)I
| PubChem CID | 2780090 |
|---|---|
| CAS | 18698-96-9 |
| Molecular Weight (g/mol) | 262.046 |
| MDL Number | MFCD00046546 |
| SMILES | C1=CC=C(C(=C1)CC(=O)O)I |
| Synonym | 2-iodophenylacetic acid,2-2-iodophenyl acetic acid,benzeneacetic acid, 2-iodo,2-iodophenyl acetic acid,o-iodophenylacetic acid,2-iodobenzeneacetic acid,2-iodophenylaceticacid,pubchem2552,acmc-209eox,maybridge1_005605 |
| IUPAC Name | 2-(2-iodophenyl)acetic acid |
| InChI Key | IUHXGZHKSYYDIL-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO2 |
2-Aminobenzotrifluoride, 99%
CAS: 88-17-5 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.13 MDL Number: MFCD00007718 InChI Key: VBLXCTYLWZJBKA-UHFFFAOYSA-N Synonym: 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene PubChem CID: 6922 IUPAC Name: 2-(trifluoromethyl)aniline SMILES: C1=CC=C(C(=C1)C(F)(F)F)N
| PubChem CID | 6922 |
|---|---|
| CAS | 88-17-5 |
| Molecular Weight (g/mol) | 161.13 |
| MDL Number | MFCD00007718 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N |
| Synonym | 2-trifluoromethyl aniline,2-aminobenzotrifluoride,o-aminobenzotrifluoride,o-trifluoromethyl aniline,o-trifluoromethylaniline,benzenamine, 2-trifluoromethyl,2-trifluoromethyl benzenamine,alpha,alpha,alpha-trifluoro-o-toluidine,2-aminotrifluorotoluene,2-aminotrifluoromethylbenzene |
| IUPAC Name | 2-(trifluoromethyl)aniline |
| InChI Key | VBLXCTYLWZJBKA-UHFFFAOYSA-N |
| Molecular Formula | C7H6F3N |
2,5-Difluorophenyl isocyanate, 98%
CAS: 39718-32-6 Molecular Formula: C7H3F2NO Molecular Weight (g/mol): 155.104 MDL Number: MFCD00013843 InChI Key: SNHIIFOXCRYGGY-UHFFFAOYSA-N PubChem CID: 2733266 IUPAC Name: 1,4-difluoro-2-isocyanatobenzene SMILES: C1=CC(=C(C=C1F)N=C=O)F
| PubChem CID | 2733266 |
|---|---|
| CAS | 39718-32-6 |
| Molecular Weight (g/mol) | 155.104 |
| MDL Number | MFCD00013843 |
| SMILES | C1=CC(=C(C=C1F)N=C=O)F |
| IUPAC Name | 1,4-difluoro-2-isocyanatobenzene |
| InChI Key | SNHIIFOXCRYGGY-UHFFFAOYSA-N |
| Molecular Formula | C7H3F2NO |
alpha-Chloro-o-xylene, 99%
CAS: 552-45-4 Molecular Formula: C8H9Cl Molecular Weight (g/mol): 140.61 MDL Number: MFCD00000899 InChI Key: VQRBXYBBGHOGFT-UHFFFAOYSA-N Synonym: 2-methylbenzyl chloride,1-chloromethyl-2-methylbenzene,o-xylyl chloride,alpha-chloro-o-xylene,o-methylbenzyl chloride,o-chloromethyl toluene,benzene, 1-chloromethyl-2-methyl,2-methylbenzylchloride,2-chloromethyl toluene,unii-eqt3v044tw PubChem CID: 11093 IUPAC Name: 1-(chloromethyl)-2-methylbenzene SMILES: CC1=CC=CC=C1CCl
| PubChem CID | 11093 |
|---|---|
| CAS | 552-45-4 |
| Molecular Weight (g/mol) | 140.61 |
| MDL Number | MFCD00000899 |
| SMILES | CC1=CC=CC=C1CCl |
| Synonym | 2-methylbenzyl chloride,1-chloromethyl-2-methylbenzene,o-xylyl chloride,alpha-chloro-o-xylene,o-methylbenzyl chloride,o-chloromethyl toluene,benzene, 1-chloromethyl-2-methyl,2-methylbenzylchloride,2-chloromethyl toluene,unii-eqt3v044tw |
| IUPAC Name | 1-(chloromethyl)-2-methylbenzene |
| InChI Key | VQRBXYBBGHOGFT-UHFFFAOYSA-N |
| Molecular Formula | C8H9Cl |
4-Chloro-2-methylaniline, 98%
CAS: 95-69-2 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.6 MDL Number: MFCD00007842 InChI Key: CXNVOWPRHWWCQR-UHFFFAOYSA-N Synonym: 4-chloro-o-toluidine,2-amino-5-chlorotoluene,fast red tr base,p-chloro-o-toluidine,kambamine red tr,benzenamine, 4-chloro-2-methyl,red tr base,5-chloro-2-aminotoluene,2-methyl-4-chloroaniline,4-chloro-2-toluidine PubChem CID: 7251 ChEBI: CHEBI:82276 IUPAC Name: 4-chloro-2-methylaniline SMILES: CC1=C(C=CC(=C1)Cl)N
| PubChem CID | 7251 |
|---|---|
| CAS | 95-69-2 |
| Molecular Weight (g/mol) | 141.6 |
| ChEBI | CHEBI:82276 |
| MDL Number | MFCD00007842 |
| SMILES | CC1=C(C=CC(=C1)Cl)N |
| Synonym | 4-chloro-o-toluidine,2-amino-5-chlorotoluene,fast red tr base,p-chloro-o-toluidine,kambamine red tr,benzenamine, 4-chloro-2-methyl,red tr base,5-chloro-2-aminotoluene,2-methyl-4-chloroaniline,4-chloro-2-toluidine |
| IUPAC Name | 4-chloro-2-methylaniline |
| InChI Key | CXNVOWPRHWWCQR-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |