Benzene and substituted derivatives
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Methyl 3,5-dibromobenzoate, 98%, Thermo Scientific Chemicals
CAS: 51329-15-8 Molecular Formula: C8H6Br2O2 Molecular Weight (g/mol): 293.94 MDL Number: MFCD00082648 InChI Key: GSMAWUZTAIOCPL-UHFFFAOYSA-N Synonym: methyl3,5-dibromobenzoate,3,5-dibromobenzoic acid methyl ester,benzoic acid, 3,5-dibromo-, methyl ester,3,5-dibromomethylbenzoate,1,3-dibromo-5-methoxycarbonyl benzene,pubchem3973,maybridge1_007706,acmc-209kt2,ksc274i7j,rarechem al bf 0770 PubChem CID: 621923 IUPAC Name: methyl 3,5-dibromobenzoate SMILES: COC(=O)C1=CC(Br)=CC(Br)=C1
| PubChem CID | 621923 |
|---|---|
| CAS | 51329-15-8 |
| Molecular Weight (g/mol) | 293.94 |
| MDL Number | MFCD00082648 |
| SMILES | COC(=O)C1=CC(Br)=CC(Br)=C1 |
| Synonym | methyl3,5-dibromobenzoate,3,5-dibromobenzoic acid methyl ester,benzoic acid, 3,5-dibromo-, methyl ester,3,5-dibromomethylbenzoate,1,3-dibromo-5-methoxycarbonyl benzene,pubchem3973,maybridge1_007706,acmc-209kt2,ksc274i7j,rarechem al bf 0770 |
| IUPAC Name | methyl 3,5-dibromobenzoate |
| InChI Key | GSMAWUZTAIOCPL-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O2 |
4-Fluorobenzyl isocyanate, 98%
CAS: 132740-43-3 Molecular Formula: C8H6FNO Molecular Weight (g/mol): 151.14 MDL Number: MFCD00673062 InChI Key: HHSIWJYERNCLKQ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl isocyanate,1-fluoro-4-isocyanatomethyl benzene,4-fluorobenzylisocyanate,4-fluorophenyl methanisocyanate,4-fluorobezylisocyanate,acmc-1c0to,intermediates-zcf02017,4-fluoro benzyl isocyanate,4-fluorophenyl methyl isocyanate PubChem CID: 2733376 IUPAC Name: 1-fluoro-4-(isocyanatomethyl)benzene SMILES: FC1=CC=C(CN=C=O)C=C1
| PubChem CID | 2733376 |
|---|---|
| CAS | 132740-43-3 |
| Molecular Weight (g/mol) | 151.14 |
| MDL Number | MFCD00673062 |
| SMILES | FC1=CC=C(CN=C=O)C=C1 |
| Synonym | 4-fluorobenzyl isocyanate,1-fluoro-4-isocyanatomethyl benzene,4-fluorobenzylisocyanate,4-fluorophenyl methanisocyanate,4-fluorobezylisocyanate,acmc-1c0to,intermediates-zcf02017,4-fluoro benzyl isocyanate,4-fluorophenyl methyl isocyanate |
| IUPAC Name | 1-fluoro-4-(isocyanatomethyl)benzene |
| InChI Key | HHSIWJYERNCLKQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO |
2-chlorobenzyl bromide, 97%
CAS: 611-17-6 Molecular Formula: C7H7BrCl Molecular Weight (g/mol): 205.49 MDL Number: MFCD00000566 InChI Key: PURSZYWBIQIANP-UHFFFAOYSA-N Synonym: 2-chlorobenzyl bromide,1-bromomethyl-2-chlorobenzene,o-chlorobenzyl bromide,2-chlorobenzylbromide,benzene, 1-bromomethyl-2-chloro,alpha-bromo-2-chlorotoluene,unii-cev23h8uv4,2chlorobenzyl bromide,alpha-bromo-o-chlorotoluene,cev23h8uv4 PubChem CID: 11905 IUPAC Name: 1-(bromomethyl)-2-chlorobenzene SMILES: C1=CC=C(C(=C1)CBr)Cl
| PubChem CID | 11905 |
|---|---|
| CAS | 611-17-6 |
| Molecular Weight (g/mol) | 205.49 |
| MDL Number | MFCD00000566 |
| SMILES | C1=CC=C(C(=C1)CBr)Cl |
| Synonym | 2-chlorobenzyl bromide,1-bromomethyl-2-chlorobenzene,o-chlorobenzyl bromide,2-chlorobenzylbromide,benzene, 1-bromomethyl-2-chloro,alpha-bromo-2-chlorotoluene,unii-cev23h8uv4,2chlorobenzyl bromide,alpha-bromo-o-chlorotoluene,cev23h8uv4 |
| IUPAC Name | 1-(bromomethyl)-2-chlorobenzene |
| InChI Key | PURSZYWBIQIANP-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrCl |
3-Iodobenzonitrile, 97%
CAS: 69113-59-3 Molecular Formula: C7H4IN Molecular Weight (g/mol): 229.02 MDL Number: MFCD00079762 InChI Key: BGARPMGQRREXLN-UHFFFAOYSA-N Synonym: m-iodobenzonitrile,3-iodo-benzonitrile,benzonitrile, 3-iodo,1-cyano-3-iodobenzene,3-iodobenzenecarbonitrile,pubchem3935,3-cyanoiodobenzene,3-iodobenzonitrile,ksc358g7h,acmc-1b930 PubChem CID: 144341 IUPAC Name: 3-iodobenzonitrile SMILES: C1=CC(=CC(=C1)I)C#N
| PubChem CID | 144341 |
|---|---|
| CAS | 69113-59-3 |
| Molecular Weight (g/mol) | 229.02 |
| MDL Number | MFCD00079762 |
| SMILES | C1=CC(=CC(=C1)I)C#N |
| Synonym | m-iodobenzonitrile,3-iodo-benzonitrile,benzonitrile, 3-iodo,1-cyano-3-iodobenzene,3-iodobenzenecarbonitrile,pubchem3935,3-cyanoiodobenzene,3-iodobenzonitrile,ksc358g7h,acmc-1b930 |
| IUPAC Name | 3-iodobenzonitrile |
| InChI Key | BGARPMGQRREXLN-UHFFFAOYSA-N |
| Molecular Formula | C7H4IN |
p-Fluorotoluene, 97%
CAS: 352-32-9 MDL Number: MFCD00000358 InChI Key: WRWPPGUCZBJXKX-UHFFFAOYSA-N Synonym: 4-fluorotoluene,p-fluorotoluene,benzene, 1-fluoro-4-methyl,p-fluoromethylbenzene,toluene, p-fluoro,1-methyl-4-fluorobenzene,p-fluoromethyl benzene,unii-nud6wz1b8f,p-tolyl fluoride,para-fluorotoluene PubChem CID: 9603 IUPAC Name: 1-fluoro-4-methylbenzene SMILES: CC1=CC=C(C=C1)F
| PubChem CID | 9603 |
|---|---|
| CAS | 352-32-9 |
| MDL Number | MFCD00000358 |
| SMILES | CC1=CC=C(C=C1)F |
| Synonym | 4-fluorotoluene,p-fluorotoluene,benzene, 1-fluoro-4-methyl,p-fluoromethylbenzene,toluene, p-fluoro,1-methyl-4-fluorobenzene,p-fluoromethyl benzene,unii-nud6wz1b8f,p-tolyl fluoride,para-fluorotoluene |
| IUPAC Name | 1-fluoro-4-methylbenzene |
| InChI Key | WRWPPGUCZBJXKX-UHFFFAOYSA-N |
Bicalutamide Impurity D, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™
This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.
2-Isopropylaniline, 97%
CAS: 643-28-7 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00007720 InChI Key: YKOLZVXSPGIIBJ-UHFFFAOYSA-N Synonym: 2-isopropylaniline,o-isopropylaniline,o-cumidine,2-propan-2-yl aniline,benzenamine, 2-1-methylethyl,o-aminoisopropylbenzene,2-isopropyl aniline,2-aminoisopropylbenzene,aniline, o-isopropyl,o-isopropyl aniline PubChem CID: 12561 SMILES: CC(C)C1=CC=CC=C1N
| PubChem CID | 12561 |
|---|---|
| CAS | 643-28-7 |
| Molecular Weight (g/mol) | 135.21 |
| MDL Number | MFCD00007720 |
| SMILES | CC(C)C1=CC=CC=C1N |
| Synonym | 2-isopropylaniline,o-isopropylaniline,o-cumidine,2-propan-2-yl aniline,benzenamine, 2-1-methylethyl,o-aminoisopropylbenzene,2-isopropyl aniline,2-aminoisopropylbenzene,aniline, o-isopropyl,o-isopropyl aniline |
| InChI Key | YKOLZVXSPGIIBJ-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
3-Amino-2-methylbenzoic acid, 98%
CAS: 52130-17-3 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00075026 InChI Key: BYHMLZGICSEKIY-UHFFFAOYSA-N Synonym: 2-methyl-3-aminobenzoic acid,3-amino-o-toluic acid,3-amino-2-methylbenzoicacid,3-amino-2-methyl-benzoic acid,benzoic acid, 3-amino-2-methyl,2-methyl-3-amino benzoic acid,pubchem10921,acmc-209ky1,ksc489o4b,3-amino-2-methyl benzoic acid PubChem CID: 2733699 IUPAC Name: 3-amino-2-methylbenzoic acid SMILES: CC1=C(C=CC=C1N)C(=O)O
| PubChem CID | 2733699 |
|---|---|
| CAS | 52130-17-3 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00075026 |
| SMILES | CC1=C(C=CC=C1N)C(=O)O |
| Synonym | 2-methyl-3-aminobenzoic acid,3-amino-o-toluic acid,3-amino-2-methylbenzoicacid,3-amino-2-methyl-benzoic acid,benzoic acid, 3-amino-2-methyl,2-methyl-3-amino benzoic acid,pubchem10921,acmc-209ky1,ksc489o4b,3-amino-2-methyl benzoic acid |
| IUPAC Name | 3-amino-2-methylbenzoic acid |
| InChI Key | BYHMLZGICSEKIY-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
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 |
2,4-Difluoro-5-nitrobenzoic acid, 97%
CAS: 153775-33-8 Molecular Formula: C7H2F2NO4 Molecular Weight (g/mol): 202.09 MDL Number: MFCD04115713 InChI Key: MDFSGDMPHMKKGB-UHFFFAOYSA-M PubChem CID: 2782822 IUPAC Name: 2,4-difluoro-5-nitrobenzoate SMILES: [O-]C(=O)C1=CC(=C(F)C=C1F)[N+]([O-])=O
| PubChem CID | 2782822 |
|---|---|
| CAS | 153775-33-8 |
| Molecular Weight (g/mol) | 202.09 |
| MDL Number | MFCD04115713 |
| SMILES | [O-]C(=O)C1=CC(=C(F)C=C1F)[N+]([O-])=O |
| IUPAC Name | 2,4-difluoro-5-nitrobenzoate |
| InChI Key | MDFSGDMPHMKKGB-UHFFFAOYSA-M |
| Molecular Formula | C7H2F2NO4 |
L(+)-Amethopterin hydrate, 99%
CAS: 133073-73-1 Molecular Formula: C20H22N8O5 Molecular Weight (g/mol): 454.45 MDL Number: MFCD00150847 InChI Key: FBOZXECLQNJBKD-UGPWUYPHNA-N Synonym: l +-amethopterin dihydrate,methotrexate dihydrate,dihydrate methotrexate,2s-2-4-2,4-diaminopteridin-6-yl methyl methylamino phenyl carbonylamino pentanedioic acid, hydrate, hydrate PubChem CID: 45157423 IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;dihydrate SMILES: CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
| PubChem CID | 45157423 |
|---|---|
| CAS | 133073-73-1 |
| Molecular Weight (g/mol) | 454.45 |
| MDL Number | MFCD00150847 |
| SMILES | CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |
| Synonym | l +-amethopterin dihydrate,methotrexate dihydrate,dihydrate methotrexate,2s-2-4-2,4-diaminopteridin-6-yl methyl methylamino phenyl carbonylamino pentanedioic acid, hydrate, hydrate |
| IUPAC Name | (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;dihydrate |
| InChI Key | FBOZXECLQNJBKD-UGPWUYPHNA-N |
| Molecular Formula | C20H22N8O5 |
1-Bromo-4-tert-butylbenzene, 97%
CAS: 3972-65-4 Molecular Formula: C10H13Br Molecular Weight (g/mol): 213.12 MDL Number: MFCD00000108 InChI Key: XHCAGOVGSDHHNP-UHFFFAOYSA-N Synonym: 4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene PubChem CID: 77595 IUPAC Name: 1-bromo-4-tert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)Br
| PubChem CID | 77595 |
|---|---|
| CAS | 3972-65-4 |
| Molecular Weight (g/mol) | 213.12 |
| MDL Number | MFCD00000108 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)Br |
| Synonym | 4-tert-butylbromobenzene,1-bromo-4-tert-butyl benzene,butylbromobenzene,p-bromo-tert-butylbenzene,1-bromo-4-t-butylbenzene,1-bromo-4-1,1-dimethylethyl benzene,4-tert-butyl-1-bromobenzene,p-bromo-t-butylbenzene,1-bromo-p-t-butylbenzene,4-bromo-tert-butylbenzene |
| IUPAC Name | 1-bromo-4-tert-butylbenzene |
| InChI Key | XHCAGOVGSDHHNP-UHFFFAOYSA-N |
| Molecular Formula | C10H13Br |
3-Bromobenzaldehyde, 97%
CAS: 3132-99-8 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003345 InChI Key: SUISZCALMBHJQX-UHFFFAOYSA-N Synonym: m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde PubChem CID: 76583 IUPAC Name: 3-bromobenzaldehyde SMILES: C1=CC(=CC(=C1)Br)C=O
| PubChem CID | 76583 |
|---|---|
| CAS | 3132-99-8 |
| Molecular Weight (g/mol) | 185.02 |
| MDL Number | MFCD00003345 |
| SMILES | C1=CC(=CC(=C1)Br)C=O |
| Synonym | m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde |
| IUPAC Name | 3-bromobenzaldehyde |
| InChI Key | SUISZCALMBHJQX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO |
4-Bromobenzyl chloride, 98%
CAS: 589-17-3 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.48 MDL Number: MFCD00040867 InChI Key: BSIIGUGKOPPTPZ-UHFFFAOYSA-N Synonym: 1-bromo-4-chloromethyl benzene,4-bromobenzyl chloride,p-bromobenzyl chloride,4-bromobenzylchloride,4-bromo-alpha-chlorotoluene,benzene, 1-bromo-4-chloromethyl,ccris 5105,p-bromo-alpha-chlorotoluene,pubchem2478,4-bromo-benzylchloride PubChem CID: 68528 IUPAC Name: 1-bromo-4-(chloromethyl)benzene SMILES: ClCC1=CC=C(Br)C=C1
| PubChem CID | 68528 |
|---|---|
| CAS | 589-17-3 |
| Molecular Weight (g/mol) | 205.48 |
| MDL Number | MFCD00040867 |
| SMILES | ClCC1=CC=C(Br)C=C1 |
| Synonym | 1-bromo-4-chloromethyl benzene,4-bromobenzyl chloride,p-bromobenzyl chloride,4-bromobenzylchloride,4-bromo-alpha-chlorotoluene,benzene, 1-bromo-4-chloromethyl,ccris 5105,p-bromo-alpha-chlorotoluene,pubchem2478,4-bromo-benzylchloride |
| IUPAC Name | 1-bromo-4-(chloromethyl)benzene |
| InChI Key | BSIIGUGKOPPTPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrCl |
2,5-Dibromonitrobenzene, 97%
CAS: 3460-18-2 Molecular Formula: C6H3Br2NO2 Molecular Weight (g/mol): 280.89 MDL Number: MFCD00007046 InChI Key: WRGKKASJBOREMB-UHFFFAOYSA-N Synonym: 2,5-dibromonitrobenzene,1,4-dibromo-2-nitro-benzene,benzene, 1,4-dibromo-2-nitro,2,5-dibromo-1-nitrobenzene,rarechem fh 1w 0042,pubchem3899,1,4-dibromonitrobenzene,2,5-dibromo nitrobenzene,2,5-dibromo-nitrobenzene,acmc-1ahj1 PubChem CID: 77004 IUPAC Name: 1,4-dibromo-2-nitrobenzene SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])Br
| PubChem CID | 77004 |
|---|---|
| CAS | 3460-18-2 |
| Molecular Weight (g/mol) | 280.89 |
| MDL Number | MFCD00007046 |
| SMILES | C1=CC(=C(C=C1Br)[N+](=O)[O-])Br |
| Synonym | 2,5-dibromonitrobenzene,1,4-dibromo-2-nitro-benzene,benzene, 1,4-dibromo-2-nitro,2,5-dibromo-1-nitrobenzene,rarechem fh 1w 0042,pubchem3899,1,4-dibromonitrobenzene,2,5-dibromo nitrobenzene,2,5-dibromo-nitrobenzene,acmc-1ahj1 |
| IUPAC Name | 1,4-dibromo-2-nitrobenzene |
| InChI Key | WRGKKASJBOREMB-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br2NO2 |