Benzene and substituted derivatives
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3,4-Dichlorobenzyl chloride, 98+%
CAS: 102-47-6 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.47 MDL Number: MFCD00000906 InChI Key: YZIFVWOCPGPNHB-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl chloride,1,2-dichloro-4-chloromethyl benzene,alpha,3,4-trichlorotoluene,benzene, 1,2-dichloro-4-chloromethyl,unii-451pb8smie,1,2-dichloro-4-chloromethyl-benzene,3,4-dichlorobenzylchloride,451pb8smie,3,4-dichlorophenylmethyl chloride,toluene, .alpha.,3,4-trichloro PubChem CID: 7609 IUPAC Name: 1,2-dichloro-4-(chloromethyl)benzene SMILES: C1=CC(=C(C=C1CCl)Cl)Cl
| PubChem CID | 7609 |
|---|---|
| CAS | 102-47-6 |
| Molecular Weight (g/mol) | 195.47 |
| MDL Number | MFCD00000906 |
| SMILES | C1=CC(=C(C=C1CCl)Cl)Cl |
| Synonym | 3,4-dichlorobenzyl chloride,1,2-dichloro-4-chloromethyl benzene,alpha,3,4-trichlorotoluene,benzene, 1,2-dichloro-4-chloromethyl,unii-451pb8smie,1,2-dichloro-4-chloromethyl-benzene,3,4-dichlorobenzylchloride,451pb8smie,3,4-dichlorophenylmethyl chloride,toluene, .alpha.,3,4-trichloro |
| IUPAC Name | 1,2-dichloro-4-(chloromethyl)benzene |
| InChI Key | YZIFVWOCPGPNHB-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl3 |
alpha,alpha-Dimethylphenylacetic acid
CAS: 826-55-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00014332 InChI Key: YYEROYLAYAVZNW-UHFFFAOYSA-N Synonym: 2-methyl-2-phenylpropionic acid,2-phenylisobutyric acid,alpha,alpha-dimethylphenylacetic acid,unii-dr8huh2gyk,dimethylphenylacetic acid,dr8huh2gyk,2-methyl-2-phenyl-propionic acid,hydratropic acid, .alpha.-methyl,benzeneacetic acid,.alpha.-dimethyl,propionic acid, 2-methyl-2-phenyl PubChem CID: 13222 IUPAC Name: 2-methyl-2-phenylpropanoic acid SMILES: CC(C)(C(O)=O)C1=CC=CC=C1
| PubChem CID | 13222 |
|---|---|
| CAS | 826-55-1 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00014332 |
| SMILES | CC(C)(C(O)=O)C1=CC=CC=C1 |
| Synonym | 2-methyl-2-phenylpropionic acid,2-phenylisobutyric acid,alpha,alpha-dimethylphenylacetic acid,unii-dr8huh2gyk,dimethylphenylacetic acid,dr8huh2gyk,2-methyl-2-phenyl-propionic acid,hydratropic acid, .alpha.-methyl,benzeneacetic acid,.alpha.-dimethyl,propionic acid, 2-methyl-2-phenyl |
| IUPAC Name | 2-methyl-2-phenylpropanoic acid |
| InChI Key | YYEROYLAYAVZNW-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
3,5-Dibromobenzyl bromide, 99%, Thermo Scientific™
CAS: 56908-88-4 Molecular Formula: C7H5Br3 Molecular Weight (g/mol): 328.83 MDL Number: MFCD00052415 InChI Key: PWTFRUXTAFBWBW-UHFFFAOYSA-N Synonym: 3,5-dibromobenzyl bromide,1,3-dibromo-5-bromomethyl benzene,benzene, 1,3-dibromo-5-bromomethyl,alpha,3,5-tribromotoluene,acmc-20andg,3,5-dibromobenzylbromide,3,5-dibromo benzyl bromide,1,3-bis bromanyl-5-bromomethyl benzene PubChem CID: 143427 IUPAC Name: 1,3-dibromo-5-(bromomethyl)benzene SMILES: BrCC1=CC(Br)=CC(Br)=C1
| PubChem CID | 143427 |
|---|---|
| CAS | 56908-88-4 |
| Molecular Weight (g/mol) | 328.83 |
| MDL Number | MFCD00052415 |
| SMILES | BrCC1=CC(Br)=CC(Br)=C1 |
| Synonym | 3,5-dibromobenzyl bromide,1,3-dibromo-5-bromomethyl benzene,benzene, 1,3-dibromo-5-bromomethyl,alpha,3,5-tribromotoluene,acmc-20andg,3,5-dibromobenzylbromide,3,5-dibromo benzyl bromide,1,3-bis bromanyl-5-bromomethyl benzene |
| IUPAC Name | 1,3-dibromo-5-(bromomethyl)benzene |
| InChI Key | PWTFRUXTAFBWBW-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br3 |
Thermo Scientific Chemicals 4-(Dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran, 96+%
CAS: 51325-91-8 Molecular Formula: C19H17N3O Molecular Weight (g/mol): 303.35 MDL Number: MFCD00051341 InChI Key: YLYPIBBGWLKELC-RMKNXTFCSA-N Synonym: unii-9s1wxc1zgn,dcm dye,dcm1,9s1wxc1zgn,4-dicyanomethylene-2-methyl-6-4-dimethylaminostyryl-4h-pyran,4-dicyanomethylene-2-methyl-6-4-dimethylamino styryl-4h-pyran,e-2-2-4-dimethylamino styryl-6-methyl-4h-pyran-4-ylidene malononitrile,2-2-4-dimethylamino phenyl ethenyl-6-methyl-4h-pyran-4-ylidene propanedinitrile,2-2-4-dimethylamino styryl-6-methyl-4h-pyran-4-ylidene malononitrile PubChem CID: 688222 IUPAC Name: 2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile SMILES: CC1=CC(=C(C#N)C#N)C=C(O1)C=CC2=CC=C(C=C2)N(C)C
| PubChem CID | 688222 |
|---|---|
| CAS | 51325-91-8 |
| Molecular Weight (g/mol) | 303.35 |
| MDL Number | MFCD00051341 |
| SMILES | CC1=CC(=C(C#N)C#N)C=C(O1)C=CC2=CC=C(C=C2)N(C)C |
| Synonym | unii-9s1wxc1zgn,dcm dye,dcm1,9s1wxc1zgn,4-dicyanomethylene-2-methyl-6-4-dimethylaminostyryl-4h-pyran,4-dicyanomethylene-2-methyl-6-4-dimethylamino styryl-4h-pyran,e-2-2-4-dimethylamino styryl-6-methyl-4h-pyran-4-ylidene malononitrile,2-2-4-dimethylamino phenyl ethenyl-6-methyl-4h-pyran-4-ylidene propanedinitrile,2-2-4-dimethylamino styryl-6-methyl-4h-pyran-4-ylidene malononitrile |
| IUPAC Name | 2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile |
| InChI Key | YLYPIBBGWLKELC-RMKNXTFCSA-N |
| Molecular Formula | C19H17N3O |
4-Aminobenzotrifluoride, 99%
CAS: 455-14-1 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.13 MDL Number: MFCD00064396 InChI Key: ODGIMMLDVSWADK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine PubChem CID: 9964 ChEBI: CHEBI:40750 IUPAC Name: 4-(trifluoromethyl)aniline SMILES: C1=CC(=CC=C1C(F)(F)F)N
| PubChem CID | 9964 |
|---|---|
| CAS | 455-14-1 |
| Molecular Weight (g/mol) | 161.13 |
| ChEBI | CHEBI:40750 |
| MDL Number | MFCD00064396 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)N |
| Synonym | 4-trifluoromethyl aniline,4-aminobenzotrifluoride,p-aminobenzotrifluoride,p-trifluoromethylaniline,benzenamine, 4-trifluoromethyl,4-trifluoromethyl benzenamine,p-trifluoromethyl aniline,aniline, p-trifluoromethyl,alpha,alpha,alpha-trifluoro-p-toluidine,a,a,a-trifluoro-p-toluidine |
| IUPAC Name | 4-(trifluoromethyl)aniline |
| InChI Key | ODGIMMLDVSWADK-UHFFFAOYSA-N |
| Molecular Formula | C7H6F3N |
4-tert-Butylaniline, 99%
CAS: 769-92-6 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.24 MDL Number: MFCD00007899 InChI Key: WRDWWAVNELMWAM-UHFFFAOYSA-N Synonym: 4-tert-butyl aniline,p-tert-butylaniline,benzenamine, 4-1,1-dimethylethyl,p-t-butylaniline,4-t-butylaniline,unii-47h9440zow,4-t-butylbenzeneamine,4-tert-butylbenzenamine,4-tert-butylbenzeneamine PubChem CID: 69861 IUPAC Name: 4-tert-butylaniline SMILES: CC(C)(C)C1=CC=C(C=C1)N
| PubChem CID | 69861 |
|---|---|
| CAS | 769-92-6 |
| Molecular Weight (g/mol) | 149.24 |
| MDL Number | MFCD00007899 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)N |
| Synonym | 4-tert-butyl aniline,p-tert-butylaniline,benzenamine, 4-1,1-dimethylethyl,p-t-butylaniline,4-t-butylaniline,unii-47h9440zow,4-t-butylbenzeneamine,4-tert-butylbenzenamine,4-tert-butylbenzeneamine |
| IUPAC Name | 4-tert-butylaniline |
| InChI Key | WRDWWAVNELMWAM-UHFFFAOYSA-N |
| Molecular Formula | C10H15N |
4-Chloro-3-sulfamoylbenzoic acid, 98%
CAS: 1205-30-7 Molecular Formula: C7H6ClNO4S Molecular Weight (g/mol): 235.65 InChI Key: FHQAWINGVCDTTG-UHFFFAOYSA-N Synonym: 4-chloro-5-sulphamoylbenzoic acid,3-aminosulfonyl-4-chlorobenzoic acid,csba,sulfamido-3-chlorobenzoic acid,benzoic acid, 3-aminosulfonyl-4-chloro,3-sulfamoyl-4-chlorobenzoic acid,benzoic acid, 4-chloro-3-sulfamoyl,4-chloro-3-sulfamoyl-benzoic acid,4-chloro-5-sulfamoylbenzoic acid,4-chloro-3-sulphamoylbenzoic acid PubChem CID: 14568 IUPAC Name: 4-chloro-3-sulfamoylbenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl
| PubChem CID | 14568 |
|---|---|
| CAS | 1205-30-7 |
| Molecular Weight (g/mol) | 235.65 |
| SMILES | C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl |
| Synonym | 4-chloro-5-sulphamoylbenzoic acid,3-aminosulfonyl-4-chlorobenzoic acid,csba,sulfamido-3-chlorobenzoic acid,benzoic acid, 3-aminosulfonyl-4-chloro,3-sulfamoyl-4-chlorobenzoic acid,benzoic acid, 4-chloro-3-sulfamoyl,4-chloro-3-sulfamoyl-benzoic acid,4-chloro-5-sulfamoylbenzoic acid,4-chloro-3-sulphamoylbenzoic acid |
| IUPAC Name | 4-chloro-3-sulfamoylbenzoic acid |
| InChI Key | FHQAWINGVCDTTG-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO4S |
4-Nitroguaiacol, 97%
CAS: 3251-56-7 Molecular Formula: C7H7NO4 Molecular Weight (g/mol): 169.14 MDL Number: MFCD00012143 InChI Key: IZLVFLOBTPURLP-UHFFFAOYSA-N Synonym: 4-nitroguaiacol,phenol, 2-methoxy-4-nitro,guaiacol, 4-nitro,2-hydroxy-5-nitroanisole,3-nitro-6-hydroxyanisole,4-hydroxy-3-methoxynitrobenzene,phenol, o-methoxy-p-nitro,o-methoxy-p-nitrophenol,2-methoxy-4-nitro-phenol,4-nitrogualacol PubChem CID: 76738 ChEBI: CHEBI:81050 IUPAC Name: 2-methoxy-4-nitrophenol SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])O
| PubChem CID | 76738 |
|---|---|
| CAS | 3251-56-7 |
| Molecular Weight (g/mol) | 169.14 |
| ChEBI | CHEBI:81050 |
| MDL Number | MFCD00012143 |
| SMILES | COC1=C(C=CC(=C1)[N+](=O)[O-])O |
| Synonym | 4-nitroguaiacol,phenol, 2-methoxy-4-nitro,guaiacol, 4-nitro,2-hydroxy-5-nitroanisole,3-nitro-6-hydroxyanisole,4-hydroxy-3-methoxynitrobenzene,phenol, o-methoxy-p-nitro,o-methoxy-p-nitrophenol,2-methoxy-4-nitro-phenol,4-nitrogualacol |
| IUPAC Name | 2-methoxy-4-nitrophenol |
| InChI Key | IZLVFLOBTPURLP-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO4 |
4-Phenyl-3-buten-2-one, 98+%
CAS: 122-57-6 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00008779 InChI Key: BWHOZHOGCMHOBV-BQYQJAHWSA-N Synonym: benzalacetone,benzylideneacetone,methyl styryl ketone,4-phenylbut-3-en-2-one,acetocinnamone,4-phenyl-3-buten-2-one,e-4-phenylbut-3-en-2-one,benzylidene acetone,trans-benzalacetone,benzalaceton PubChem CID: 637759 ChEBI: CHEBI:78399 IUPAC Name: (E)-4-phenylbut-3-en-2-one SMILES: CC(=O)\C=C\C1=CC=CC=C1
| PubChem CID | 637759 |
|---|---|
| CAS | 122-57-6 |
| Molecular Weight (g/mol) | 146.19 |
| ChEBI | CHEBI:78399 |
| MDL Number | MFCD00008779 |
| SMILES | CC(=O)\C=C\C1=CC=CC=C1 |
| Synonym | benzalacetone,benzylideneacetone,methyl styryl ketone,4-phenylbut-3-en-2-one,acetocinnamone,4-phenyl-3-buten-2-one,e-4-phenylbut-3-en-2-one,benzylidene acetone,trans-benzalacetone,benzalaceton |
| IUPAC Name | (E)-4-phenylbut-3-en-2-one |
| InChI Key | BWHOZHOGCMHOBV-BQYQJAHWSA-N |
| Molecular Formula | C10H10O |
2,6-Diphenylphenol, 97%
CAS: 2432-11-3 Molecular Formula: C18H14O Molecular Weight (g/mol): 246.31 MDL Number: MFCD00009716 InChI Key: ATGFTMUSEPZNJD-UHFFFAOYSA-N Synonym: 1,1':3',1-terphenyl-2'-ol,m-terphenyl-2'-ol,2,6-diphenyl phenol,2'-hydroxy-m-terphenyl,unii-la93w35m96,2,6-di-phenylphenol,2,6,-diphenylphenol,2,6-di phenyl phenol,acmc-1ccsf PubChem CID: 75512
| PubChem CID | 75512 |
|---|---|
| CAS | 2432-11-3 |
| Molecular Weight (g/mol) | 246.31 |
| MDL Number | MFCD00009716 |
| Synonym | 1,1':3',1-terphenyl-2'-ol,m-terphenyl-2'-ol,2,6-diphenyl phenol,2'-hydroxy-m-terphenyl,unii-la93w35m96,2,6-di-phenylphenol,2,6,-diphenylphenol,2,6-di phenyl phenol,acmc-1ccsf |
| InChI Key | ATGFTMUSEPZNJD-UHFFFAOYSA-N |
| Molecular Formula | C18H14O |
2,3-Dichlorobenzyl bromide, 99%
CAS: 57915-78-3 Molecular Formula: C7H5BrCl2 Molecular Weight (g/mol): 239.921 MDL Number: MFCD03701317 InChI Key: PVIGUZZDWGININ-UHFFFAOYSA-N Synonym: 2,3-dichlorobenzyl bromide,1-bromomethyl-2,3-dichlorobenzene,2,3-dichlorobenzylbromide,alpha-bromo-2,3-dichlorotoluene,benzene,1-bromomethyl-2,3-dichloro,benzene, 1-bromomethyl-2,3-dichloro,acmc-209m1b PubChem CID: 2734602 IUPAC Name: 1-(bromomethyl)-2,3-dichlorobenzene SMILES: C1=CC(=C(C(=C1)Cl)Cl)CBr
| PubChem CID | 2734602 |
|---|---|
| CAS | 57915-78-3 |
| Molecular Weight (g/mol) | 239.921 |
| MDL Number | MFCD03701317 |
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)CBr |
| Synonym | 2,3-dichlorobenzyl bromide,1-bromomethyl-2,3-dichlorobenzene,2,3-dichlorobenzylbromide,alpha-bromo-2,3-dichlorotoluene,benzene,1-bromomethyl-2,3-dichloro,benzene, 1-bromomethyl-2,3-dichloro,acmc-209m1b |
| IUPAC Name | 1-(bromomethyl)-2,3-dichlorobenzene |
| InChI Key | PVIGUZZDWGININ-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrCl2 |
2-Bromophenylacetone, 99%
CAS: 21906-31-0 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.08 MDL Number: MFCD03410431 InChI Key: TZIAZLUAMDLDJF-UHFFFAOYSA-N Synonym: 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388 PubChem CID: 2734092 IUPAC Name: 1-(2-bromophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1Br
| PubChem CID | 2734092 |
|---|---|
| CAS | 21906-31-0 |
| Molecular Weight (g/mol) | 213.08 |
| MDL Number | MFCD03410431 |
| SMILES | CC(=O)CC1=CC=CC=C1Br |
| Synonym | 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388 |
| IUPAC Name | 1-(2-bromophenyl)propan-2-one |
| InChI Key | TZIAZLUAMDLDJF-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |
alpha-Bromostyrene, 95%, stabilized
CAS: 98-81-7 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.05 MDL Number: MFCD00012229 InChI Key: SRXJYTZCORKVNA-UHFFFAOYSA-N Synonym: 1-bromovinyl benzene,alpha-bromostyrene,benzene, 1-bromoethenyl,1-bromostyrene,styrene, alpha-bromo,1-phenylvinyl bromide,alpha-bromostyrol russian,styrene, .alpha.-bromo,unii-lf0sj1821n,alpha-bromostyrol PubChem CID: 66828 IUPAC Name: 1-bromoethenylbenzene SMILES: BrC(=C)C1=CC=CC=C1
| PubChem CID | 66828 |
|---|---|
| CAS | 98-81-7 |
| Molecular Weight (g/mol) | 183.05 |
| MDL Number | MFCD00012229 |
| SMILES | BrC(=C)C1=CC=CC=C1 |
| Synonym | 1-bromovinyl benzene,alpha-bromostyrene,benzene, 1-bromoethenyl,1-bromostyrene,styrene, alpha-bromo,1-phenylvinyl bromide,alpha-bromostyrol russian,styrene, .alpha.-bromo,unii-lf0sj1821n,alpha-bromostyrol |
| IUPAC Name | 1-bromoethenylbenzene |
| InChI Key | SRXJYTZCORKVNA-UHFFFAOYSA-N |
| Molecular Formula | C8H7Br |
2-Bromo-4-chloroanisole, 98%, Thermo Scientific™
CAS: 60633-25-2 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.48 MDL Number: MFCD00079705 InChI Key: YJEMGEBDXDPBSP-UHFFFAOYSA-N Synonym: 2-bromo-4-chloroanisole,2-bromo-4-chloro-1-methoxy-benzene,benzene, 2-bromo-4-chloro-1-methoxy,4-chloro-2-bromoanisole,pubchem2629,2-bromo4-chloroanisole,4-chloro-2-bromanisole,2-bromo-4-chloro anisole,acmc-1b9j6,ksc490k3r PubChem CID: 521935 IUPAC Name: 2-bromo-4-chloro-1-methoxybenzene SMILES: COC1=C(C=C(C=C1)Cl)Br
| PubChem CID | 521935 |
|---|---|
| CAS | 60633-25-2 |
| Molecular Weight (g/mol) | 221.48 |
| MDL Number | MFCD00079705 |
| SMILES | COC1=C(C=C(C=C1)Cl)Br |
| Synonym | 2-bromo-4-chloroanisole,2-bromo-4-chloro-1-methoxy-benzene,benzene, 2-bromo-4-chloro-1-methoxy,4-chloro-2-bromoanisole,pubchem2629,2-bromo4-chloroanisole,4-chloro-2-bromanisole,2-bromo-4-chloro anisole,acmc-1b9j6,ksc490k3r |
| IUPAC Name | 2-bromo-4-chloro-1-methoxybenzene |
| InChI Key | YJEMGEBDXDPBSP-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO |