Benzene and substituted derivatives
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Methyl 2-bromo-5-nitrobenzoate, 98+%
CAS: 6942-36-5 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00010867 InChI Key: VSEYYEKRZNRECT-UHFFFAOYSA-N Synonym: 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate PubChem CID: 245494 IUPAC Name: methyl 2-bromo-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br
| PubChem CID | 245494 |
|---|---|
| CAS | 6942-36-5 |
| Molecular Weight (g/mol) | 260.043 |
| MDL Number | MFCD00010867 |
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Br |
| Synonym | 2-bromo-5-nitrobenzoic acid methyl ester,benzoic acid, 2-bromo-5-nitro-, methyl ester,methyl 2-bromo-5-nitro-benzoate,2-bromo-5-nitro-benzoic acid methyl ester,methyl2-bromo-5-nitrobenzoate,pubchem3971,acmc-1b9le,ksc495k5r,methyl 5-nitro-2-bromobenzoate,methyl-2-bromo-5-nitrobenzoate |
| IUPAC Name | methyl 2-bromo-5-nitrobenzoate |
| InChI Key | VSEYYEKRZNRECT-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO4 |
1-Iodo-2,4-dinitrobenzene, 98%
CAS: 709-49-9 Molecular Formula: C6H3IN2O4 Molecular Weight (g/mol): 294.004 MDL Number: MFCD00039738 InChI Key: FXMKXMJLXRTQSW-UHFFFAOYSA-N Synonym: 2,4-dinitroiodobenzene,benzene, 1-iodo-2,4-dinitro,unii-not697x2xm,ccris 7907,4-iodo-1,3-dintrobenzene,6-iodo-1,3-dintrobenzene,2,4-dinitro-1-iodobenzene,not697x2xm,1-iodo-2,4-dinitro-benzene,1-iod-2,4-dinitrobenzol PubChem CID: 69730 ChEBI: CHEBI:59000 IUPAC Name: 1-iodo-2,4-dinitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])I
| PubChem CID | 69730 |
|---|---|
| CAS | 709-49-9 |
| Molecular Weight (g/mol) | 294.004 |
| ChEBI | CHEBI:59000 |
| MDL Number | MFCD00039738 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])I |
| Synonym | 2,4-dinitroiodobenzene,benzene, 1-iodo-2,4-dinitro,unii-not697x2xm,ccris 7907,4-iodo-1,3-dintrobenzene,6-iodo-1,3-dintrobenzene,2,4-dinitro-1-iodobenzene,not697x2xm,1-iodo-2,4-dinitro-benzene,1-iod-2,4-dinitrobenzol |
| IUPAC Name | 1-iodo-2,4-dinitrobenzene |
| InChI Key | FXMKXMJLXRTQSW-UHFFFAOYSA-N |
| Molecular Formula | C6H3IN2O4 |
Ethyl 4-bromophenylacetate, 98%
CAS: 14062-25-0 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.1 MDL Number: MFCD00016333 InChI Key: ZFDCWHPNBWPPHG-UHFFFAOYSA-N Synonym: ethyl 4-bromophenylacetate,ethyl 2-4-bromophenyl acetate,4-bromophenylacetic acid ethyl ester,benzeneacetic acid, 4-bromo-, ethyl ester,4-bromo-phenyl-acetic acid ethyl ester,ethyl 4-bromophenyl acetate,4-bromo-benzeneacetic acid ethyl ester,ethyl-4-bromophenylacetate,pubchem20039,acmc-209ckw PubChem CID: 7020609 IUPAC Name: ethyl 2-(4-bromophenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)Br
| PubChem CID | 7020609 |
|---|---|
| CAS | 14062-25-0 |
| Molecular Weight (g/mol) | 243.1 |
| MDL Number | MFCD00016333 |
| SMILES | CCOC(=O)CC1=CC=C(C=C1)Br |
| Synonym | ethyl 4-bromophenylacetate,ethyl 2-4-bromophenyl acetate,4-bromophenylacetic acid ethyl ester,benzeneacetic acid, 4-bromo-, ethyl ester,4-bromo-phenyl-acetic acid ethyl ester,ethyl 4-bromophenyl acetate,4-bromo-benzeneacetic acid ethyl ester,ethyl-4-bromophenylacetate,pubchem20039,acmc-209ckw |
| IUPAC Name | ethyl 2-(4-bromophenyl)acetate |
| InChI Key | ZFDCWHPNBWPPHG-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrO2 |
3-Bromostyrene, 97%, stab. with 0.1% 4-tert-butylcatechol
CAS: 2039-86-3 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.048 MDL Number: MFCD00000088 InChI Key: KQJQPCJDKBKSLV-UHFFFAOYSA-N Synonym: 3-bromostyrene,1-bromo-3-vinylbenzene,m-bromostyrene,benzene, 1-bromo-3-ethenyl,1-bromo-3-vinyl-benzene,unii-6xe3sf241y,3-bromo-styrene,pubchem23859,acmc-1cmdc,1-bromo-3-vinylbenzene # PubChem CID: 74870 IUPAC Name: 1-bromo-3-ethenylbenzene SMILES: C=CC1=CC(=CC=C1)Br
| PubChem CID | 74870 |
|---|---|
| CAS | 2039-86-3 |
| Molecular Weight (g/mol) | 183.048 |
| MDL Number | MFCD00000088 |
| SMILES | C=CC1=CC(=CC=C1)Br |
| Synonym | 3-bromostyrene,1-bromo-3-vinylbenzene,m-bromostyrene,benzene, 1-bromo-3-ethenyl,1-bromo-3-vinyl-benzene,unii-6xe3sf241y,3-bromo-styrene,pubchem23859,acmc-1cmdc,1-bromo-3-vinylbenzene # |
| IUPAC Name | 1-bromo-3-ethenylbenzene |
| InChI Key | KQJQPCJDKBKSLV-UHFFFAOYSA-N |
| Molecular Formula | C8H7Br |
Benzyltriphenylphosphonium bromide, 98%
CAS: 1449-46-3 Molecular Formula: C25H22BrP Molecular Weight (g/mol): 433.33 MDL Number: MFCD00031707 InChI Key: WTEPWWCRWNCUNA-UHFFFAOYSA-M Synonym: benzyltriphenylphosphonium bromide,bromo benzyl triphenylphosphorane,benzyltriphenylphosphanium bromide,phenylmethyl triphenylphosphonium bromide,benzyl triphenylphosphonium bromide,benzyl triphenyl phosphonium bromide,phosphonium, triphenyl phenylmethyl-, bromide,acmc-1ch0e,ksc491k3n PubChem CID: 2734970 IUPAC Name: benzyl(triphenyl)phosphanium;bromide SMILES: [Br-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2734970 |
|---|---|
| CAS | 1449-46-3 |
| Molecular Weight (g/mol) | 433.33 |
| MDL Number | MFCD00031707 |
| SMILES | [Br-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | benzyltriphenylphosphonium bromide,bromo benzyl triphenylphosphorane,benzyltriphenylphosphanium bromide,phenylmethyl triphenylphosphonium bromide,benzyl triphenylphosphonium bromide,benzyl triphenyl phosphonium bromide,phosphonium, triphenyl phenylmethyl-, bromide,acmc-1ch0e,ksc491k3n |
| IUPAC Name | benzyl(triphenyl)phosphanium;bromide |
| InChI Key | WTEPWWCRWNCUNA-UHFFFAOYSA-M |
| Molecular Formula | C25H22BrP |
1,2-Dibromo-3,4,5,6-tetramethylbenzene, 98%
CAS: 36321-73-0 Molecular Formula: C10H12Br2 Molecular Weight (g/mol): 292.014 MDL Number: MFCD00154987 InChI Key: VEZJOZSIGSNYEB-UHFFFAOYSA-N Synonym: benzene,1,2-dibromo-3,4,5,6-tetramethyl,pubchem21478,benzene, 1,2-dibromo-3,4,5,6-tetramethyl,1,2-bis bromanyl-3,4,5,6-tetramethyl-benzene PubChem CID: 2752606 IUPAC Name: 1,2-dibromo-3,4,5,6-tetramethylbenzene SMILES: CC1=C(C(=C(C(=C1C)Br)Br)C)C
| PubChem CID | 2752606 |
|---|---|
| CAS | 36321-73-0 |
| Molecular Weight (g/mol) | 292.014 |
| MDL Number | MFCD00154987 |
| SMILES | CC1=C(C(=C(C(=C1C)Br)Br)C)C |
| Synonym | benzene,1,2-dibromo-3,4,5,6-tetramethyl,pubchem21478,benzene, 1,2-dibromo-3,4,5,6-tetramethyl,1,2-bis bromanyl-3,4,5,6-tetramethyl-benzene |
| IUPAC Name | 1,2-dibromo-3,4,5,6-tetramethylbenzene |
| InChI Key | VEZJOZSIGSNYEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12Br2 |
5-Amino-2-methylbenzenesulfonamide, 96%
CAS: 6973-09-7 MDL Number: MFCD06681071 ChEBI: CHEBI:29013
| CAS | 6973-09-7 |
|---|---|
| ChEBI | CHEBI:29013 |
| MDL Number | MFCD06681071 |
5-Bromo-2-isopropoxybenzonitrile, 97%, Thermo Scientific Chemicals
CAS: 515832-52-7 Molecular Formula: C10H10BrNO Molecular Weight (g/mol): 240.1 MDL Number: MFCD02257441 InChI Key: YRPPYKWHWKFYGJ-UHFFFAOYSA-N Synonym: 5-bromo-2-isopropoxybenzonitrile,5-bromo-2-isopropoxy-benzonitrile,benzonitrile, 5-bromo-2-1-methylethoxy,5-bromo-2-propan-2-yloxy benzonitrile,5-bromo-2-methylethoxy benzenecarbonitrile,acmc-1awgy,5-bromo-2 1-methylethyl oxy benzonitrile,5-bromo-2-1-methylethyl oxy benzonitrile PubChem CID: 3262494 IUPAC Name: 5-bromo-2-propan-2-yloxybenzonitrile SMILES: CC(C)OC1=C(C=C(C=C1)Br)C#N
| PubChem CID | 3262494 |
|---|---|
| CAS | 515832-52-7 |
| Molecular Weight (g/mol) | 240.1 |
| MDL Number | MFCD02257441 |
| SMILES | CC(C)OC1=C(C=C(C=C1)Br)C#N |
| Synonym | 5-bromo-2-isopropoxybenzonitrile,5-bromo-2-isopropoxy-benzonitrile,benzonitrile, 5-bromo-2-1-methylethoxy,5-bromo-2-propan-2-yloxy benzonitrile,5-bromo-2-methylethoxy benzenecarbonitrile,acmc-1awgy,5-bromo-2 1-methylethyl oxy benzonitrile,5-bromo-2-1-methylethyl oxy benzonitrile |
| IUPAC Name | 5-bromo-2-propan-2-yloxybenzonitrile |
| InChI Key | YRPPYKWHWKFYGJ-UHFFFAOYSA-N |
| Molecular Formula | C10H10BrNO |
3-(Methylsulfonyl)benzeneboronic acid, 98%
CAS: 373384-18-0 Molecular Formula: C7H9BO4S Molecular Weight (g/mol): 200.015 MDL Number: MFCD03092935 InChI Key: HZFFUMBZBGETES-UHFFFAOYSA-N Synonym: 3-methylsulfonyl phenylboronic acid,3-methylsulfonyl phenyl boronic acid,3-methylsulfonylphenyl boronic acid,3-methanesulfonyl phenylboronic acid,3-methanesulfonyl phenyl boronic acid,3-methanesulfonylphenylboronic acid,boronic acid, 3-methylsulfonyl phenyl,3-methanesulfonylphenyl boronic acid,3-methanesulphonyl phenylboronic acid PubChem CID: 2773542 IUPAC Name: (3-methylsulfonylphenyl)boronic acid SMILES: B(C1=CC(=CC=C1)S(=O)(=O)C)(O)O
| PubChem CID | 2773542 |
|---|---|
| CAS | 373384-18-0 |
| Molecular Weight (g/mol) | 200.015 |
| MDL Number | MFCD03092935 |
| SMILES | B(C1=CC(=CC=C1)S(=O)(=O)C)(O)O |
| Synonym | 3-methylsulfonyl phenylboronic acid,3-methylsulfonyl phenyl boronic acid,3-methylsulfonylphenyl boronic acid,3-methanesulfonyl phenylboronic acid,3-methanesulfonyl phenyl boronic acid,3-methanesulfonylphenylboronic acid,boronic acid, 3-methylsulfonyl phenyl,3-methanesulfonylphenyl boronic acid,3-methanesulphonyl phenylboronic acid |
| IUPAC Name | (3-methylsulfonylphenyl)boronic acid |
| InChI Key | HZFFUMBZBGETES-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO4S |
1-(4-Chlorobenzyl)piperazine, 98%
CAS: 23145-88-2 Molecular Formula: C11H15ClN2 Molecular Weight (g/mol): 210.705 MDL Number: MFCD00040791 InChI Key: GSJXJZOWHSTWOX-UHFFFAOYSA-N Synonym: 1-4-chlorobenzyl piperazine,1-4-chlorophenyl methyl piperazine,4-chlorobenzylpiperazine,1-4-chlorobenzyl-piperazine,1-4-chloro-benzyl-piperazine,1-4-chloro benzyl piperazine,n-4-chlorobenzyl piperazine,4-chlorophenyl methyl piperazine,norhomochlorcyclizine,chlorobenzylpiperazin PubChem CID: 134826 IUPAC Name: 1-[(4-chlorophenyl)methyl]piperazine SMILES: C1CN(CCN1)CC2=CC=C(C=C2)Cl
| PubChem CID | 134826 |
|---|---|
| CAS | 23145-88-2 |
| Molecular Weight (g/mol) | 210.705 |
| MDL Number | MFCD00040791 |
| SMILES | C1CN(CCN1)CC2=CC=C(C=C2)Cl |
| Synonym | 1-4-chlorobenzyl piperazine,1-4-chlorophenyl methyl piperazine,4-chlorobenzylpiperazine,1-4-chlorobenzyl-piperazine,1-4-chloro-benzyl-piperazine,1-4-chloro benzyl piperazine,n-4-chlorobenzyl piperazine,4-chlorophenyl methyl piperazine,norhomochlorcyclizine,chlorobenzylpiperazin |
| IUPAC Name | 1-[(4-chlorophenyl)methyl]piperazine |
| InChI Key | GSJXJZOWHSTWOX-UHFFFAOYSA-N |
| Molecular Formula | C11H15ClN2 |
4-Amino-3-iodobenzonitrile, 97%
CAS: 33348-34-4 Molecular Formula: C7H5IN2 Molecular Weight (g/mol): 244.035 MDL Number: MFCD04039964 InChI Key: UOWVTQFTEAYDLM-UHFFFAOYSA-N Synonym: 4-cyano-2-iodoaniline,1-amino-2-iodo-4-cyanobenzene,benzonitrile, 4-amino-3-iodo,4-amino-2-iodobenzonitrile 98,4-amino-3-iodobenzenecarbonitrile,2-iodo-4-cyanoaniline,4-cyano-6-iodoaniline,pubchem18486,acmc-20a6lw,3-iodo-4-aminobenzonitrile PubChem CID: 4416395 IUPAC Name: 4-amino-3-iodobenzonitrile SMILES: C1=CC(=C(C=C1C#N)I)N
| PubChem CID | 4416395 |
|---|---|
| CAS | 33348-34-4 |
| Molecular Weight (g/mol) | 244.035 |
| MDL Number | MFCD04039964 |
| SMILES | C1=CC(=C(C=C1C#N)I)N |
| Synonym | 4-cyano-2-iodoaniline,1-amino-2-iodo-4-cyanobenzene,benzonitrile, 4-amino-3-iodo,4-amino-2-iodobenzonitrile 98,4-amino-3-iodobenzenecarbonitrile,2-iodo-4-cyanoaniline,4-cyano-6-iodoaniline,pubchem18486,acmc-20a6lw,3-iodo-4-aminobenzonitrile |
| IUPAC Name | 4-amino-3-iodobenzonitrile |
| InChI Key | UOWVTQFTEAYDLM-UHFFFAOYSA-N |
| Molecular Formula | C7H5IN2 |
5-Bromo-2-chloroanisole, 98%
CAS: 16817-43-9 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.48 MDL Number: MFCD00078659 InChI Key: UAMVKOTWSHJOSY-UHFFFAOYSA-N Synonym: 5-bromo-2-chloroanisole,5-bromo-2-chloroanisol,4-chloro-3-methoxybromobenzene,2-chloro-5-bromoanisole,5-bromo-2-chloro-anisole,benzene, 4-bromo-1-chloro-2-methoxy,4-bromo-1-chloro-2-methoxy-benzene,zlchem 582,pubchem2632,acmc-209dxq PubChem CID: 2769567 IUPAC Name: 4-bromo-1-chloro-2-methoxybenzene SMILES: COC1=C(Cl)C=CC(Br)=C1
| PubChem CID | 2769567 |
|---|---|
| CAS | 16817-43-9 |
| Molecular Weight (g/mol) | 221.48 |
| MDL Number | MFCD00078659 |
| SMILES | COC1=C(Cl)C=CC(Br)=C1 |
| Synonym | 5-bromo-2-chloroanisole,5-bromo-2-chloroanisol,4-chloro-3-methoxybromobenzene,2-chloro-5-bromoanisole,5-bromo-2-chloro-anisole,benzene, 4-bromo-1-chloro-2-methoxy,4-bromo-1-chloro-2-methoxy-benzene,zlchem 582,pubchem2632,acmc-209dxq |
| IUPAC Name | 4-bromo-1-chloro-2-methoxybenzene |
| InChI Key | UAMVKOTWSHJOSY-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO |
3-Methoxyphenethyl alcohol, 97%
CAS: 5020-41-7 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002893 InChI Key: UPPGEJSCUZMCMW-UHFFFAOYSA-N Synonym: 2-3-methoxyphenyl ethanol,3-methoxyphenethyl alcohol,benzeneethanol, 3-methoxy,2-3-methoxyphenyl ethan-1-ol,phenethyl alcohol, m-methoxy,3-methoxybenzeneethanol,m-methoxyphenethyl alcohol,1-2-hydroxyethyl-3-methoxybenzene,acmc-20abd2,3-methoxyphenethylalcohol PubChem CID: 78724 IUPAC Name: 2-(3-methoxyphenyl)ethanol SMILES: COC1=CC=CC(=C1)CCO
| PubChem CID | 78724 |
|---|---|
| CAS | 5020-41-7 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00002893 |
| SMILES | COC1=CC=CC(=C1)CCO |
| Synonym | 2-3-methoxyphenyl ethanol,3-methoxyphenethyl alcohol,benzeneethanol, 3-methoxy,2-3-methoxyphenyl ethan-1-ol,phenethyl alcohol, m-methoxy,3-methoxybenzeneethanol,m-methoxyphenethyl alcohol,1-2-hydroxyethyl-3-methoxybenzene,acmc-20abd2,3-methoxyphenethylalcohol |
| IUPAC Name | 2-(3-methoxyphenyl)ethanol |
| InChI Key | UPPGEJSCUZMCMW-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
3-Fluoro-5-(pentafluorothio)aniline, 97%
CAS: 1240256-99-8 Molecular Formula: C6H5F6NS Molecular Weight (g/mol): 237.163 MDL Number: MFCD16652430 InChI Key: RFXWDLYDFAZNLO-UHFFFAOYSA-N Synonym: 3-fluoro-5-pentafluorosulfur aniline,3-fluoro-5-pentafluoro-??-sulfanyl aniline,3-fluoro-5-pentafluorothio aniline PubChem CID: 66523473 IUPAC Name: 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)aniline SMILES: C1=C(C=C(C=C1F)S(F)(F)(F)(F)F)N
| PubChem CID | 66523473 |
|---|---|
| CAS | 1240256-99-8 |
| Molecular Weight (g/mol) | 237.163 |
| MDL Number | MFCD16652430 |
| SMILES | C1=C(C=C(C=C1F)S(F)(F)(F)(F)F)N |
| Synonym | 3-fluoro-5-pentafluorosulfur aniline,3-fluoro-5-pentafluoro-??-sulfanyl aniline,3-fluoro-5-pentafluorothio aniline |
| IUPAC Name | 3-fluoro-5-(pentafluoro-$l^{6}-sulfanyl)aniline |
| InChI Key | RFXWDLYDFAZNLO-UHFFFAOYSA-N |
| Molecular Formula | C6H5F6NS |
alpha,2-Dimethylstyrene, 99%
CAS: 26444-18-8 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.206 MDL Number: MFCD00049092 InChI Key: OGMSGZZPTQNTIK-UHFFFAOYSA-N Synonym: 2-isopropenyltoluene,o-isopropenyltoluene,1-methyl-2-prop-1-en-2-yl benzene,o,alpha-dimethylstyrene,alpha,2-dimethylstyrene,isopropenyltoluene,o,.alpha.-dimethylstyrene,benzene, 1-methyl-2-1-methylethenyl,o-methyl-.alpha.-methylstyrene,1-methyl-2-iso-propenylbenzene PubChem CID: 81886 IUPAC Name: 1-methyl-2-prop-1-en-2-ylbenzene SMILES: CC1=CC=CC=C1C(=C)C
| PubChem CID | 81886 |
|---|---|
| CAS | 26444-18-8 |
| Molecular Weight (g/mol) | 132.206 |
| MDL Number | MFCD00049092 |
| SMILES | CC1=CC=CC=C1C(=C)C |
| Synonym | 2-isopropenyltoluene,o-isopropenyltoluene,1-methyl-2-prop-1-en-2-yl benzene,o,alpha-dimethylstyrene,alpha,2-dimethylstyrene,isopropenyltoluene,o,.alpha.-dimethylstyrene,benzene, 1-methyl-2-1-methylethenyl,o-methyl-.alpha.-methylstyrene,1-methyl-2-iso-propenylbenzene |
| IUPAC Name | 1-methyl-2-prop-1-en-2-ylbenzene |
| InChI Key | OGMSGZZPTQNTIK-UHFFFAOYSA-N |
| Molecular Formula | C10H12 |