Benzene and substituted derivatives
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(S)-(-)-N-Benzyl-1-phenylethylamine, ChiPros∣r, 99%, ee 99+%
CAS: 17480-69-2 Molecular Formula: C15H24N Molecular Weight (g/mol): 218.36 MDL Number: MFCD00066325 InChI Key: UHABCGJJMSQRRP-ZDUSSCGKSA-O Synonym: s---n-benzyl-1-phenylethylamine,s---n-benzyl-alpha-methylbenzylamine,s-n-benzyl-1-phenylethanamine,s-n-benzyl-1-phenylethylamine,benzyl 1s-1-phenylethyl amine,s-n-benzyl-alpha-methylbenzylamine,s--n-benzyl-alpha-phenylethylamine,pubchem5973,n-benzyl-d-amphetamine PubChem CID: 1268085 IUPAC Name: (1S)-N-benzyl-1-phenylethanamine SMILES: C[C@H]([NH2+]CC1CCCCC1)C1=CC=CC=C1
| PubChem CID | 1268085 |
|---|---|
| CAS | 17480-69-2 |
| Molecular Weight (g/mol) | 218.36 |
| MDL Number | MFCD00066325 |
| SMILES | C[C@H]([NH2+]CC1CCCCC1)C1=CC=CC=C1 |
| Synonym | s---n-benzyl-1-phenylethylamine,s---n-benzyl-alpha-methylbenzylamine,s-n-benzyl-1-phenylethanamine,s-n-benzyl-1-phenylethylamine,benzyl 1s-1-phenylethyl amine,s-n-benzyl-alpha-methylbenzylamine,s--n-benzyl-alpha-phenylethylamine,pubchem5973,n-benzyl-d-amphetamine |
| IUPAC Name | (1S)-N-benzyl-1-phenylethanamine |
| InChI Key | UHABCGJJMSQRRP-ZDUSSCGKSA-O |
| Molecular Formula | C15H24N |
4-Chloro-3-methoxyaniline, 98%, Thermo Scientific™
CAS: 13726-14-2 Molecular Formula: C7H8ClNO Molecular Weight (g/mol): 157.60 MDL Number: MFCD00672967 InChI Key: LNKBDFVSILQKSI-UHFFFAOYSA-N Synonym: 3-methoxy-4-chloroaniline,4-chloro-3-methoxyphenylamine,4-chloro-m-anisidine,2-chloro-5-aminoanisole,5-amino-2-chloroanisole,4-chloro-3-methoxy aniline,4-chloro-3-methoxy-phenylamine,benzenamine, 4-chloro-3-methoxy,pubchem3659,acmc-1chua PubChem CID: 13103692 IUPAC Name: 4-chloro-3-methoxyaniline SMILES: COC1=C(Cl)C=CC(N)=C1
| PubChem CID | 13103692 |
|---|---|
| CAS | 13726-14-2 |
| Molecular Weight (g/mol) | 157.60 |
| MDL Number | MFCD00672967 |
| SMILES | COC1=C(Cl)C=CC(N)=C1 |
| Synonym | 3-methoxy-4-chloroaniline,4-chloro-3-methoxyphenylamine,4-chloro-m-anisidine,2-chloro-5-aminoanisole,5-amino-2-chloroanisole,4-chloro-3-methoxy aniline,4-chloro-3-methoxy-phenylamine,benzenamine, 4-chloro-3-methoxy,pubchem3659,acmc-1chua |
| IUPAC Name | 4-chloro-3-methoxyaniline |
| InChI Key | LNKBDFVSILQKSI-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClNO |
Tetrakis(triphenylphosphine)platinum(0), Pt 15.2% min
CAS: 14221-02-4 Molecular Formula: C72H60P4Pt Molecular Weight (g/mol): 1244.25 MDL Number: MFCD00010014 InChI Key: SYKXNRFLNZUGAJ-UHFFFAOYSA-N Synonym: tetrakis triphenylphosphine platinum 0,tetrakis triphenylphosphine platinum,platinum; triphenylphosphane,pt pph3 4,platinum tetratriphenylphosphine,platinum, tetrakis triphenylphosphine-, t-4,platinum 0-tetrakis triphenylphosphine,platinum; triphenylphosphine,tetrakis triphenylphosphine platinum 0 1g PubChem CID: 11979705 IUPAC Name: platinum;triphenylphosphane SMILES: [Pt].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11979705 |
|---|---|
| CAS | 14221-02-4 |
| Molecular Weight (g/mol) | 1244.25 |
| MDL Number | MFCD00010014 |
| SMILES | [Pt].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tetrakis triphenylphosphine platinum 0,tetrakis triphenylphosphine platinum,platinum; triphenylphosphane,pt pph3 4,platinum tetratriphenylphosphine,platinum, tetrakis triphenylphosphine-, t-4,platinum 0-tetrakis triphenylphosphine,platinum; triphenylphosphine,tetrakis triphenylphosphine platinum 0 1g |
| IUPAC Name | platinum;triphenylphosphane |
| InChI Key | SYKXNRFLNZUGAJ-UHFFFAOYSA-N |
| Molecular Formula | C72H60P4Pt |
3-Methylbenzylamine, 98%
CAS: 100-81-2 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00008118 InChI Key: RGXUCUWVGKLACF-UHFFFAOYSA-N Synonym: 3-methylbenzylamine,m-tolylmethanamine,3-methylphenyl methanamine,benzenemethanamine, 3-methyl,m-methylbenzylamine,1-3-methylphenyl methanamine,3-methylbenzyl amine,alpha-amino-m-xylene,benzylamine, m-methyl,m-xylylamine PubChem CID: 66015 IUPAC Name: (3-methylphenyl)methanamine SMILES: CC1=CC(=CC=C1)CN
| PubChem CID | 66015 |
|---|---|
| CAS | 100-81-2 |
| Molecular Weight (g/mol) | 121.18 |
| MDL Number | MFCD00008118 |
| SMILES | CC1=CC(=CC=C1)CN |
| Synonym | 3-methylbenzylamine,m-tolylmethanamine,3-methylphenyl methanamine,benzenemethanamine, 3-methyl,m-methylbenzylamine,1-3-methylphenyl methanamine,3-methylbenzyl amine,alpha-amino-m-xylene,benzylamine, m-methyl,m-xylylamine |
| IUPAC Name | (3-methylphenyl)methanamine |
| InChI Key | RGXUCUWVGKLACF-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |
2-Methyl-3,5-dinitrobenzoic acid, 97+%
CAS: 28169-46-2 Molecular Formula: C8H6N2O6 Molecular Weight (g/mol): 226.14 MDL Number: MFCD00007161 InChI Key: CDVNZMKTJIBBBV-UHFFFAOYSA-N Synonym: 2-methyl-3,5-dinitrobenzoic acid,3,5-dinitro-2-methylbenzoic acid,3,5-dinitro-o-toluic acid,benzoic acid, 2-methyl-3,5-dinitro,3,5-dinitrotoluic acid,o-toluic acid, 3,5-dinitro,2-methyl-3,5-dinitro-benzoic acid,3,5-dinitro-2-methyl-benzoic acid,acmc-1cfeu,o-toluic acid,5-dinitro PubChem CID: 98824 IUPAC Name: 2-methyl-3,5-dinitrobenzoic acid SMILES: CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
| PubChem CID | 98824 |
|---|---|
| CAS | 28169-46-2 |
| Molecular Weight (g/mol) | 226.14 |
| MDL Number | MFCD00007161 |
| SMILES | CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| Synonym | 2-methyl-3,5-dinitrobenzoic acid,3,5-dinitro-2-methylbenzoic acid,3,5-dinitro-o-toluic acid,benzoic acid, 2-methyl-3,5-dinitro,3,5-dinitrotoluic acid,o-toluic acid, 3,5-dinitro,2-methyl-3,5-dinitro-benzoic acid,3,5-dinitro-2-methyl-benzoic acid,acmc-1cfeu,o-toluic acid,5-dinitro |
| IUPAC Name | 2-methyl-3,5-dinitrobenzoic acid |
| InChI Key | CDVNZMKTJIBBBV-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O6 |
2-Bromostyrene, 96%, stab. with ca 0.05% 4-tert-butylcatechol
CAS: 2039-88-5 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.048 MDL Number: MFCD00000076 InChI Key: SSZOCHFYWWVSAI-UHFFFAOYSA-N Synonym: 2-bromostyrene,1-bromo-2-vinylbenzene,o-bromostyrene,benzene, 1-bromo-2-ethenyl,unii-9a96gp6z5d,styrene, o-bromo,2-bromo-styrene,o-bromovinylbenzene,pubchem23975,2-bromo-1-vinylbenzene PubChem CID: 16264 IUPAC Name: 1-bromo-2-ethenylbenzene SMILES: C=CC1=CC=CC=C1Br
| PubChem CID | 16264 |
|---|---|
| CAS | 2039-88-5 |
| Molecular Weight (g/mol) | 183.048 |
| MDL Number | MFCD00000076 |
| SMILES | C=CC1=CC=CC=C1Br |
| Synonym | 2-bromostyrene,1-bromo-2-vinylbenzene,o-bromostyrene,benzene, 1-bromo-2-ethenyl,unii-9a96gp6z5d,styrene, o-bromo,2-bromo-styrene,o-bromovinylbenzene,pubchem23975,2-bromo-1-vinylbenzene |
| IUPAC Name | 1-bromo-2-ethenylbenzene |
| InChI Key | SSZOCHFYWWVSAI-UHFFFAOYSA-N |
| Molecular Formula | C8H7Br |
4-Benzyloxy-3-methoxybenzaldehyde, 98%
CAS: 2426-87-1 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00003365 InChI Key: JSHLOPGSDZTEGQ-UHFFFAOYSA-N Synonym: 4-benzyloxy-3-methoxybenzaldehyde,benzylvanillin,o-benzylvanillin,vanillin benzyl ether,unii-5knc2tsw9g,4-benzyloxy-3-methoxy-benzaldehyde,benzaldehyde, 3-methoxy-4-phenylmethoxy,5knc2tsw9g,3-methoxy-4-phenylmethoxy benzaldehyde PubChem CID: 75506 IUPAC Name: 3-methoxy-4-phenylmethoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1OCC1=CC=CC=C1
| PubChem CID | 75506 |
|---|---|
| CAS | 2426-87-1 |
| Molecular Weight (g/mol) | 242.27 |
| MDL Number | MFCD00003365 |
| SMILES | COC1=CC(C=O)=CC=C1OCC1=CC=CC=C1 |
| Synonym | 4-benzyloxy-3-methoxybenzaldehyde,benzylvanillin,o-benzylvanillin,vanillin benzyl ether,unii-5knc2tsw9g,4-benzyloxy-3-methoxy-benzaldehyde,benzaldehyde, 3-methoxy-4-phenylmethoxy,5knc2tsw9g,3-methoxy-4-phenylmethoxy benzaldehyde |
| IUPAC Name | 3-methoxy-4-phenylmethoxybenzaldehyde |
| InChI Key | JSHLOPGSDZTEGQ-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
2-(3-Bromo-4-fluorophenyl)acetonitrile, 96%
CAS: 501420-63-9 Molecular Formula: C8H5BrFN Molecular Weight (g/mol): 214.037 MDL Number: MFCD08458154 InChI Key: ORKCKZRBHXMWBO-UHFFFAOYSA-N Synonym: 2-3-bromo-4-fluorophenyl acetonitrile,3-bromo-4-fluorophenylacetonitrile,3-bromo-4-fluorobenzyl cyanide,benzeneacetonitrile, 3-bromo-4-fluoro,3-bromo-4-fluorophenyl acetonitrile,3-bromo-4-fluoro benzyl cyanide,3-bromo-4-fluorobenzeneacetonitrile,2-3-bromo-4-fluorophenyl ethanenitrile PubChem CID: 20113897 IUPAC Name: 2-(3-bromo-4-fluorophenyl)acetonitrile SMILES: C1=CC(=C(C=C1CC#N)Br)F
| PubChem CID | 20113897 |
|---|---|
| CAS | 501420-63-9 |
| Molecular Weight (g/mol) | 214.037 |
| MDL Number | MFCD08458154 |
| SMILES | C1=CC(=C(C=C1CC#N)Br)F |
| Synonym | 2-3-bromo-4-fluorophenyl acetonitrile,3-bromo-4-fluorophenylacetonitrile,3-bromo-4-fluorobenzyl cyanide,benzeneacetonitrile, 3-bromo-4-fluoro,3-bromo-4-fluorophenyl acetonitrile,3-bromo-4-fluoro benzyl cyanide,3-bromo-4-fluorobenzeneacetonitrile,2-3-bromo-4-fluorophenyl ethanenitrile |
| IUPAC Name | 2-(3-bromo-4-fluorophenyl)acetonitrile |
| InChI Key | ORKCKZRBHXMWBO-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrFN |
4-Methylbenzyl alcohol, 99%
CAS: 589-18-4 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00004664 InChI Key: KMTDMTZBNYGUNX-UHFFFAOYSA-N Synonym: 4-methylbenzyl alcohol,p-tolylmethanol,p-tolylcarbinol,4-methylphenyl methanol,4-tolylcarbinol,p-methylbenzyl alcohol,benzenemethanol, 4-methyl,4-hydroxymethyl toluene,benzyl alcohol, p-methyl,4-methylbenzenemethanol PubChem CID: 11505 ChEBI: CHEBI:1895 IUPAC Name: (4-methylphenyl)methanol SMILES: CC1=CC=C(C=C1)CO
| PubChem CID | 11505 |
|---|---|
| CAS | 589-18-4 |
| Molecular Weight (g/mol) | 122.167 |
| ChEBI | CHEBI:1895 |
| MDL Number | MFCD00004664 |
| SMILES | CC1=CC=C(C=C1)CO |
| Synonym | 4-methylbenzyl alcohol,p-tolylmethanol,p-tolylcarbinol,4-methylphenyl methanol,4-tolylcarbinol,p-methylbenzyl alcohol,benzenemethanol, 4-methyl,4-hydroxymethyl toluene,benzyl alcohol, p-methyl,4-methylbenzenemethanol |
| IUPAC Name | (4-methylphenyl)methanol |
| InChI Key | KMTDMTZBNYGUNX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
4-Phenoxybenzyl alcohol, 97%
CAS: 2215-78-3 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.24 MDL Number: MFCD01463970 InChI Key: FEOMFFKZOZMBKD-UHFFFAOYSA-N PubChem CID: 826195 IUPAC Name: (4-phenoxyphenyl)methanol SMILES: OCC1=CC=C(OC2=CC=CC=C2)C=C1
| PubChem CID | 826195 |
|---|---|
| CAS | 2215-78-3 |
| Molecular Weight (g/mol) | 200.24 |
| MDL Number | MFCD01463970 |
| SMILES | OCC1=CC=C(OC2=CC=CC=C2)C=C1 |
| IUPAC Name | (4-phenoxyphenyl)methanol |
| InChI Key | FEOMFFKZOZMBKD-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
4-Bromo-3-methylaniline, 97%, Thermo Scientific™
CAS: 6933-10-4 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00007828
| CAS | 6933-10-4 |
|---|---|
| Molecular Weight (g/mol) | 186.05 |
| MDL Number | MFCD00007828 |
| Molecular Formula | C7H8BrN |
(1-Hexadecyl)triphenylphosphonium bromide, 98+%
CAS: 14866-43-4 Molecular Formula: C34H48BrP Molecular Weight (g/mol): 567.64 MDL Number: MFCD00051858 InChI Key: UXMZNEHSMYESLH-UHFFFAOYSA-M Synonym: hexadecyltriphenylphosphonium bromide,1-hexadecyl triphenylphosphonium bromide,cetyltriphenylphosphonium bromide,phosphonium, hexadecyltriphenyl-, bromide,hexadecyl triphenyl phosphanium bromide,hexadecyltriphenylphosphanium bromide,acmc-1boiz,hexadecyl triphenyl phosphonium bromide,hexadecyl triphenyl phosphonium chloride,1-hexadecyl triphenylphosphoniumbromide PubChem CID: 3084210 IUPAC Name: hexadecyl(triphenyl)phosphanium;bromide SMILES: [Br-].CCCCCCCCCCCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 3084210 |
|---|---|
| CAS | 14866-43-4 |
| Molecular Weight (g/mol) | 567.64 |
| MDL Number | MFCD00051858 |
| SMILES | [Br-].CCCCCCCCCCCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | hexadecyltriphenylphosphonium bromide,1-hexadecyl triphenylphosphonium bromide,cetyltriphenylphosphonium bromide,phosphonium, hexadecyltriphenyl-, bromide,hexadecyl triphenyl phosphanium bromide,hexadecyltriphenylphosphanium bromide,acmc-1boiz,hexadecyl triphenyl phosphonium bromide,hexadecyl triphenyl phosphonium chloride,1-hexadecyl triphenylphosphoniumbromide |
| IUPAC Name | hexadecyl(triphenyl)phosphanium;bromide |
| InChI Key | UXMZNEHSMYESLH-UHFFFAOYSA-M |
| Molecular Formula | C34H48BrP |
2-Acetamidophenol, 97%
CAS: 614-80-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00002181 InChI Key: ADVGKWPZRIDURE-UHFFFAOYSA-N Synonym: 2-acetamidophenol,n-2-hydroxyphenyl acetamide,2'-hydroxyacetanilide,o-hydroxyacetanilide,2-acetaminophenol,2-hydroxyacetanilide,o-acetamidophenol,o-acetylamino phenol,2-acetylamino phenol,o-acetaminophenol PubChem CID: 11972 IUPAC Name: N-(2-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC=CC=C1O
| PubChem CID | 11972 |
|---|---|
| CAS | 614-80-2 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00002181 |
| SMILES | CC(=O)NC1=CC=CC=C1O |
| Synonym | 2-acetamidophenol,n-2-hydroxyphenyl acetamide,2'-hydroxyacetanilide,o-hydroxyacetanilide,2-acetaminophenol,2-hydroxyacetanilide,o-acetamidophenol,o-acetylamino phenol,2-acetylamino phenol,o-acetaminophenol |
| IUPAC Name | N-(2-hydroxyphenyl)acetamide |
| InChI Key | ADVGKWPZRIDURE-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
3-Chlorophenylacetone, 94%
CAS: 14123-60-5 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00082872 InChI Key: VCNYPJMEQHTAHS-UHFFFAOYSA-N PubChem CID: 2734097 IUPAC Name: 1-(3-chlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC(Cl)=C1
| PubChem CID | 2734097 |
|---|---|
| CAS | 14123-60-5 |
| Molecular Weight (g/mol) | 168.62 |
| MDL Number | MFCD00082872 |
| SMILES | CC(=O)CC1=CC=CC(Cl)=C1 |
| IUPAC Name | 1-(3-chlorophenyl)propan-2-one |
| InChI Key | VCNYPJMEQHTAHS-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO |
N,N'-Dibenzylethylenediamine diacetate, 99%
CAS: 122-75-8 Molecular Formula: C20H28N2O4 Molecular Weight (g/mol): 360.454 MDL Number: MFCD00040588 InChI Key: MTRNNCLQPVCDLF-UHFFFAOYSA-N Synonym: n,n'-dibenzylethylenediamine diacetate,n1,n2-dibenzylethane-1,2-diamine diacetate,n,n'-dibenzyl ethylenediamine diacetate,benzathine diacetate,dbed diacetate,unii-x18b8x2c22,n,n'-dibenzylethylenediammonium di acetate,1,2-ethanediamine, n,n'-bis phenylmethyl-, diacetate,bis acetic acid ; benzathine,1,2-di benzylamino ethane diacetate PubChem CID: 31228 IUPAC Name: acetic acid;N,N'-dibenzylethane-1,2-diamine SMILES: CC(=O)O.CC(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
| PubChem CID | 31228 |
|---|---|
| CAS | 122-75-8 |
| Molecular Weight (g/mol) | 360.454 |
| MDL Number | MFCD00040588 |
| SMILES | CC(=O)O.CC(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2 |
| Synonym | n,n'-dibenzylethylenediamine diacetate,n1,n2-dibenzylethane-1,2-diamine diacetate,n,n'-dibenzyl ethylenediamine diacetate,benzathine diacetate,dbed diacetate,unii-x18b8x2c22,n,n'-dibenzylethylenediammonium di acetate,1,2-ethanediamine, n,n'-bis phenylmethyl-, diacetate,bis acetic acid ; benzathine,1,2-di benzylamino ethane diacetate |
| IUPAC Name | acetic acid;N,N'-dibenzylethane-1,2-diamine |
| InChI Key | MTRNNCLQPVCDLF-UHFFFAOYSA-N |
| Molecular Formula | C20H28N2O4 |