Benzene and substituted derivatives
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1-(4-Chlorophenylsulfonyl)-3-propylurea 99.0+%, TCI America™
CAS: 94-20-2 Molecular Formula: C10H13ClN2O3S Molecular Weight (g/mol): 276.735 MDL Number: MFCD00079004 InChI Key: RKWGIWYCVPQPMF-UHFFFAOYSA-N Synonym: chlorpropamide,chloropropamide,diabinese,chlorpropamid,diabenese,glucamide,meldian,chlorodiabina,chloronase,diabeneza PubChem CID: 2727 ChEBI: CHEBI:3650 IUPAC Name: 1-(4-chlorophenyl)sulfonyl-3-propylurea SMILES: CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl
| PubChem CID | 2727 |
|---|---|
| CAS | 94-20-2 |
| Molecular Weight (g/mol) | 276.735 |
| ChEBI | CHEBI:3650 |
| MDL Number | MFCD00079004 |
| SMILES | CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl |
| Synonym | chlorpropamide,chloropropamide,diabinese,chlorpropamid,diabenese,glucamide,meldian,chlorodiabina,chloronase,diabeneza |
| IUPAC Name | 1-(4-chlorophenyl)sulfonyl-3-propylurea |
| InChI Key | RKWGIWYCVPQPMF-UHFFFAOYSA-N |
| Molecular Formula | C10H13ClN2O3S |
4-Chlorophenyl Phenyl Sulfone 96.0+%, TCI America™
CAS: 80-00-2 Molecular Formula: C12H9ClO2S Molecular Weight (g/mol): 252.712 MDL Number: MFCD00007549 InChI Key: OFCFYWOKHPOXKF-UHFFFAOYSA-N Synonym: 4-Chlorodiphenyl Sulfone, 1-Chloro-4-(phenylsulfonyl)benzene, Sulferone PubChem CID: 6621 IUPAC Name: 1-(benzenesulfonyl)-4-chlorobenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl
| PubChem CID | 6621 |
|---|---|
| CAS | 80-00-2 |
| Molecular Weight (g/mol) | 252.712 |
| MDL Number | MFCD00007549 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl |
| Synonym | 4-Chlorodiphenyl Sulfone, 1-Chloro-4-(phenylsulfonyl)benzene, Sulferone |
| IUPAC Name | 1-(benzenesulfonyl)-4-chlorobenzene |
| InChI Key | OFCFYWOKHPOXKF-UHFFFAOYSA-N |
| Molecular Formula | C12H9ClO2S |
Methyl 2-Chloro-5-nitrobenzoate 98.0+%, TCI America™
CAS: 6307-82-0 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.589 MDL Number: MFCD00184587 InChI Key: VCYWZLGOWNCJNJ-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoic acid methyl ester,benzoic acid, 2-chloro-5-nitro-, methyl ester,methyl 2-chloro-5-nitrobenzenecarboxylate,2-chloro-5-nitro-benzoic acid methyl ester,methylester kyseliny 2-chlor-5-nitrobenzoove czech,pubchem3711,acmc-209ncv,methylester kyseliny 2-chlor-5-nitrobenzoove,4-09-00-01228 beilstein handbook reference,methyl2-chloro-5-nitrobenzoate PubChem CID: 22754 IUPAC Name: methyl 2-chloro-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl
| PubChem CID | 22754 |
|---|---|
| CAS | 6307-82-0 |
| Molecular Weight (g/mol) | 215.589 |
| MDL Number | MFCD00184587 |
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl |
| Synonym | 2-chloro-5-nitrobenzoic acid methyl ester,benzoic acid, 2-chloro-5-nitro-, methyl ester,methyl 2-chloro-5-nitrobenzenecarboxylate,2-chloro-5-nitro-benzoic acid methyl ester,methylester kyseliny 2-chlor-5-nitrobenzoove czech,pubchem3711,acmc-209ncv,methylester kyseliny 2-chlor-5-nitrobenzoove,4-09-00-01228 beilstein handbook reference,methyl2-chloro-5-nitrobenzoate |
| IUPAC Name | methyl 2-chloro-5-nitrobenzoate |
| InChI Key | VCYWZLGOWNCJNJ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO4 |
Cumene Hydroperoxide (contains ca. 20% Aromatic Hydrocarbon), TCI America™
CAS: 80-15-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002129 InChI Key: YQHLDYVWEZKEOX-UHFFFAOYSA-N Synonym: cumene hydroperoxide,cumyl hydroperoxide,hydroperoxide, 1-methyl-1-phenylethyl,cumenyl hydroperoxide,alpha,alpha-dimethylbenzyl hydroperoxide,cumolhydroperoxid,7-cumyl hydroperoxide,cumolhydroperoxide,cument hydroperoxide,hydroperoxyde de cumene PubChem CID: 6629 ChEBI: CHEBI:78673 IUPAC Name: 2-phenylpropane-2-peroxol SMILES: CC(C)(OO)C1=CC=CC=C1
| PubChem CID | 6629 |
|---|---|
| CAS | 80-15-9 |
| Molecular Weight (g/mol) | 152.19 |
| ChEBI | CHEBI:78673 |
| MDL Number | MFCD00002129 |
| SMILES | CC(C)(OO)C1=CC=CC=C1 |
| Synonym | cumene hydroperoxide,cumyl hydroperoxide,hydroperoxide, 1-methyl-1-phenylethyl,cumenyl hydroperoxide,alpha,alpha-dimethylbenzyl hydroperoxide,cumolhydroperoxid,7-cumyl hydroperoxide,cumolhydroperoxide,cument hydroperoxide,hydroperoxyde de cumene |
| IUPAC Name | 2-phenylpropane-2-peroxol |
| InChI Key | YQHLDYVWEZKEOX-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
4-Bromophenylacetone 98.0+%, TCI America™
CAS: 6186-22-7 Molecular Formula: C24H24N2O5S Molecular Weight (g/mol): 452.53 MDL Number: MFCD00210401 InChI Key: CDUPPXGKUKTGLU-UHFFFAOYSA-N Synonym: 4-bromophenylacetone,1-4-bromophenyl propan-2-one,1-4-bromophenyl acetone,1-4-bromophenyl-2-propanone,1-4-bromo-phenyl-propan-2-one,p-bromo benzyl methyl ketone,4-bromophenylaceton,4-bromophenylacteone,4-bromophenyl acetone PubChem CID: 736332 IUPAC Name: methyl 2-{2-[N-(3,5-dimethylphenyl)benzenesulfonamido]acetamido}benzoate SMILES: COC(=O)C1=CC=CC=C1NC(=O)CN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC=CC=C1
| PubChem CID | 736332 |
|---|---|
| CAS | 6186-22-7 |
| Molecular Weight (g/mol) | 452.53 |
| MDL Number | MFCD00210401 |
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CN(C1=CC(C)=CC(C)=C1)S(=O)(=O)C1=CC=CC=C1 |
| Synonym | 4-bromophenylacetone,1-4-bromophenyl propan-2-one,1-4-bromophenyl acetone,1-4-bromophenyl-2-propanone,1-4-bromo-phenyl-propan-2-one,p-bromo benzyl methyl ketone,4-bromophenylaceton,4-bromophenylacteone,4-bromophenyl acetone |
| IUPAC Name | methyl 2-{2-[N-(3,5-dimethylphenyl)benzenesulfonamido]acetamido}benzoate |
| InChI Key | CDUPPXGKUKTGLU-UHFFFAOYSA-N |
| Molecular Formula | C24H24N2O5S |
2-Bromo-5-methoxybenzyl Bromide 98.0+%, TCI America™
CAS: 19614-12-1 Molecular Formula: C8H8Br2O Molecular Weight (g/mol): 279.959 MDL Number: MFCD00078664 InChI Key: MURVUTUZSUEIGI-UHFFFAOYSA-N Synonym: 2-bromo-5-methoxybenzyl bromide,1-bromo-2-bromomethyl-4-methoxybenzene,2-bromo-5-methoxybenzylbromide,4-bromo-3-bromomethyl anisole,2-bromo-5-methoxy-benzyl bromide,benzene, 1-bromo-2-bromomethyl-4-methoxy,4-bromo-3-bromomethyl-1-methoxybenzene,pubchem18176,acmc-20a5x2,4-bromo3-bromomethylanisole PubChem CID: 3525951 IUPAC Name: 1-bromo-2-(bromomethyl)-4-methoxybenzene SMILES: COC1=CC(=C(C=C1)Br)CBr
| PubChem CID | 3525951 |
|---|---|
| CAS | 19614-12-1 |
| Molecular Weight (g/mol) | 279.959 |
| MDL Number | MFCD00078664 |
| SMILES | COC1=CC(=C(C=C1)Br)CBr |
| Synonym | 2-bromo-5-methoxybenzyl bromide,1-bromo-2-bromomethyl-4-methoxybenzene,2-bromo-5-methoxybenzylbromide,4-bromo-3-bromomethyl anisole,2-bromo-5-methoxy-benzyl bromide,benzene, 1-bromo-2-bromomethyl-4-methoxy,4-bromo-3-bromomethyl-1-methoxybenzene,pubchem18176,acmc-20a5x2,4-bromo3-bromomethylanisole |
| IUPAC Name | 1-bromo-2-(bromomethyl)-4-methoxybenzene |
| InChI Key | MURVUTUZSUEIGI-UHFFFAOYSA-N |
| Molecular Formula | C8H8Br2O |
2-Bromoaniline 98.0+%, TCI America™
CAS: 615-36-1 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.025 MDL Number: MFCD00007632 InChI Key: AOPBDRUWRLBSDB-UHFFFAOYSA-N Synonym: o-bromoaniline,benzenamine, 2-bromo,o-aminobromobenzene,aniline, o-bromo,2-bromobenzenamine,bromoaniline 2-,2-bromo aniline,2-bromophenylamine,benzenamine,2-bromo,2-bromioaniline PubChem CID: 11992 IUPAC Name: 2-bromoaniline SMILES: C1=CC=C(C(=C1)N)Br
| PubChem CID | 11992 |
|---|---|
| CAS | 615-36-1 |
| Molecular Weight (g/mol) | 172.025 |
| MDL Number | MFCD00007632 |
| SMILES | C1=CC=C(C(=C1)N)Br |
| Synonym | o-bromoaniline,benzenamine, 2-bromo,o-aminobromobenzene,aniline, o-bromo,2-bromobenzenamine,bromoaniline 2-,2-bromo aniline,2-bromophenylamine,benzenamine,2-bromo,2-bromioaniline |
| IUPAC Name | 2-bromoaniline |
| InChI Key | AOPBDRUWRLBSDB-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrN |
3,5-Bis(trifluoromethyl)benzoic Acid 98.0+%, TCI America™
CAS: 725-89-3 Molecular Formula: C9H4F6O2 Molecular Weight (g/mol): 258.12 MDL Number: MFCD00000388 InChI Key: HVFQJWGYVXKLTE-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzoic acid,3,5-di trifluoromethyl benzoic acid,benzoic acid, 3,5-bis trifluoromethyl,bis 3,5-trifluoromethyl benzoic acid,mbt-boa,3,5-bis-trifluoromethyl-benzoic acid,3,5-bis-trifluoromethyl benzoic acid,3.5-bis trifluoromethyl benzoic acid,pubchem2725 PubChem CID: 12889 IUPAC Name: 3,5-bis(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 12889 |
|---|---|
| CAS | 725-89-3 |
| Molecular Weight (g/mol) | 258.12 |
| MDL Number | MFCD00000388 |
| SMILES | OC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl benzoic acid,3,5-di trifluoromethyl benzoic acid,benzoic acid, 3,5-bis trifluoromethyl,bis 3,5-trifluoromethyl benzoic acid,mbt-boa,3,5-bis-trifluoromethyl-benzoic acid,3,5-bis-trifluoromethyl benzoic acid,3.5-bis trifluoromethyl benzoic acid,pubchem2725 |
| IUPAC Name | 3,5-bis(trifluoromethyl)benzoic acid |
| InChI Key | HVFQJWGYVXKLTE-UHFFFAOYSA-N |
| Molecular Formula | C9H4F6O2 |
N,N-Bis(4-bromobenzyl)amine 98.0+%, TCI America™
CAS: 24898-17-7 Molecular Formula: C14H13Br2N Molecular Weight (g/mol): 355.073 MDL Number: MFCD03093622 InChI Key: DNHBOKSBUKGKMI-UHFFFAOYSA-N PubChem CID: 10601487 IUPAC Name: 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]methanamine SMILES: C1=CC(=CC=C1CNCC2=CC=C(C=C2)Br)Br
| PubChem CID | 10601487 |
|---|---|
| CAS | 24898-17-7 |
| Molecular Weight (g/mol) | 355.073 |
| MDL Number | MFCD03093622 |
| SMILES | C1=CC(=CC=C1CNCC2=CC=C(C=C2)Br)Br |
| IUPAC Name | 1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]methanamine |
| InChI Key | DNHBOKSBUKGKMI-UHFFFAOYSA-N |
| Molecular Formula | C14H13Br2N |
(R)-(+)-N-Benzyl-1-phenylethylamine 98.0+%, TCI America™
CAS: 38235-77-7 Molecular Formula: C15H17N Molecular Weight (g/mol): 211.308 MDL Number: MFCD00015010 InChI Key: ZYZHMSJNPCYUTB-CYBMUJFWSA-N Synonym: r-+-n-benzyl-1-phenylethylamine,r-n-benzyl-1-phenylethanamine,r-+-n-benzyl-alpha-methylbenzylamine,benzyl 1r-1-phenylethyl amine,r-n-benzyl-1-phenylethylamine,1r-1-phenylethyl benzylamine,1r-n-benzyl-1-phenylethanamine,s---n-benzyl-alpha-phenethylamine,pubchem5974 PubChem CID: 1268086 IUPAC Name: (1R)-N-benzyl-1-phenylethanamine SMILES: CC(C1=CC=CC=C1)NCC2=CC=CC=C2
| PubChem CID | 1268086 |
|---|---|
| CAS | 38235-77-7 |
| Molecular Weight (g/mol) | 211.308 |
| MDL Number | MFCD00015010 |
| SMILES | CC(C1=CC=CC=C1)NCC2=CC=CC=C2 |
| Synonym | r-+-n-benzyl-1-phenylethylamine,r-n-benzyl-1-phenylethanamine,r-+-n-benzyl-alpha-methylbenzylamine,benzyl 1r-1-phenylethyl amine,r-n-benzyl-1-phenylethylamine,1r-1-phenylethyl benzylamine,1r-n-benzyl-1-phenylethanamine,s---n-benzyl-alpha-phenethylamine,pubchem5974 |
| IUPAC Name | (1R)-N-benzyl-1-phenylethanamine |
| InChI Key | ZYZHMSJNPCYUTB-CYBMUJFWSA-N |
| Molecular Formula | C15H17N |
Bis(4-bromophenyl)amine 98.0+%, TCI America™
CAS: 16292-17-4 Molecular Formula: C12H9Br2N Molecular Weight (g/mol): 327.02 MDL Number: MFCD00225488 InChI Key: VKVHTZNHLOGHGP-UHFFFAOYSA-N PubChem CID: 629950 IUPAC Name: 4-bromo-N-(4-bromophenyl)aniline SMILES: BrC1=CC=C(NC2=CC=C(Br)C=C2)C=C1
| PubChem CID | 629950 |
|---|---|
| CAS | 16292-17-4 |
| Molecular Weight (g/mol) | 327.02 |
| MDL Number | MFCD00225488 |
| SMILES | BrC1=CC=C(NC2=CC=C(Br)C=C2)C=C1 |
| IUPAC Name | 4-bromo-N-(4-bromophenyl)aniline |
| InChI Key | VKVHTZNHLOGHGP-UHFFFAOYSA-N |
| Molecular Formula | C12H9Br2N |
Sodium Thiosalicylate 95.0+%, TCI America™
CAS: 134-23-6 Molecular Formula: C7H5NaO2S Molecular Weight (g/mol): 176.165 MDL Number: MFCD00070504 InChI Key: HBAIZOJDXAXWHS-UHFFFAOYSA-M Synonym: Thiosalicylic Acid Sodium Salt, Sodium 2-Mercaptobenzoate, 2-Mercaptobenzoic Acid Sodium Salt PubChem CID: 23690429 ChEBI: CHEBI:9182 IUPAC Name: sodium;2-sulfanylbenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])S.[Na+]
| PubChem CID | 23690429 |
|---|---|
| CAS | 134-23-6 |
| Molecular Weight (g/mol) | 176.165 |
| ChEBI | CHEBI:9182 |
| MDL Number | MFCD00070504 |
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])S.[Na+] |
| Synonym | Thiosalicylic Acid Sodium Salt, Sodium 2-Mercaptobenzoate, 2-Mercaptobenzoic Acid Sodium Salt |
| IUPAC Name | sodium;2-sulfanylbenzoate |
| InChI Key | HBAIZOJDXAXWHS-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO2S |
Diallyl Terephthalate 98.0+%, TCI America™
CAS: 1026-92-2 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.262 MDL Number: MFCD00080462 InChI Key: ZDNFTNPFYCKVTB-UHFFFAOYSA-N Synonym: Terephthalic Acid Diallyl Ester PubChem CID: 66102 IUPAC Name: bis(prop-2-enyl) benzene-1,4-dicarboxylate SMILES: C=CCOC(=O)C1=CC=C(C=C1)C(=O)OCC=C
| PubChem CID | 66102 |
|---|---|
| CAS | 1026-92-2 |
| Molecular Weight (g/mol) | 246.262 |
| MDL Number | MFCD00080462 |
| SMILES | C=CCOC(=O)C1=CC=C(C=C1)C(=O)OCC=C |
| Synonym | Terephthalic Acid Diallyl Ester |
| IUPAC Name | bis(prop-2-enyl) benzene-1,4-dicarboxylate |
| InChI Key | ZDNFTNPFYCKVTB-UHFFFAOYSA-N |
| Molecular Formula | C14H14O4 |
2,2',3,3'-Tetrahydroxy-1,1'-binaphthyl 98.0+%, TCI America™
CAS: 39215-21-9 Molecular Formula: C20H14O4 Molecular Weight (g/mol): 318.33 MDL Number: MFCD00188003 InChI Key: OOSHJGKXQBJASF-UHFFFAOYSA-N Synonym: 1,1′C-Bi(2,3-naphthodiol) PubChem CID: 316673 IUPAC Name: [1,1'-binaphthalene]-2,2',3,3'-tetrol SMILES: OC1=C(O)C(=C2C=CC=CC2=C1)C1=C2C=CC=CC2=CC(O)=C1O
| PubChem CID | 316673 |
|---|---|
| CAS | 39215-21-9 |
| Molecular Weight (g/mol) | 318.33 |
| MDL Number | MFCD00188003 |
| SMILES | OC1=C(O)C(=C2C=CC=CC2=C1)C1=C2C=CC=CC2=CC(O)=C1O |
| Synonym | 1,1′C-Bi(2,3-naphthodiol) |
| IUPAC Name | [1,1'-binaphthalene]-2,2',3,3'-tetrol |
| InChI Key | OOSHJGKXQBJASF-UHFFFAOYSA-N |
| Molecular Formula | C20H14O4 |
2-(Trifluoromethoxy)phenylacetonitrile 95.0+%, TCI America™
CAS: 137218-25-8 Molecular Formula: C9H6F3NO Molecular Weight (g/mol): 201.15 MDL Number: MFCD00236326 InChI Key: OIKWCWVMUBCXJM-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy phenylacetonitrile,2-triflnoromethoxybenzyl cyanide,2-2-trifluoromethoxy phenyl acetonitrile,2-trifluoromethoxybenzyl cyanide,1 2-trifluoromethoxy phenyl acetonitrile,2-trifluoromethoxy benzyl cyanide,2-trifluoromethoxybenzylcyanide,2-trifluoromethoxy-phenyl-acetonitrile,benzeneacetonitrile, 2-trifluoromethoxy PubChem CID: 2777321 IUPAC Name: 2-[2-(trifluoromethoxy)phenyl]acetonitrile SMILES: FC(F)(F)OC1=CC=CC=C1CC#N
| PubChem CID | 2777321 |
|---|---|
| CAS | 137218-25-8 |
| Molecular Weight (g/mol) | 201.15 |
| MDL Number | MFCD00236326 |
| SMILES | FC(F)(F)OC1=CC=CC=C1CC#N |
| Synonym | 2-trifluoromethoxy phenylacetonitrile,2-triflnoromethoxybenzyl cyanide,2-2-trifluoromethoxy phenyl acetonitrile,2-trifluoromethoxybenzyl cyanide,1 2-trifluoromethoxy phenyl acetonitrile,2-trifluoromethoxy benzyl cyanide,2-trifluoromethoxybenzylcyanide,2-trifluoromethoxy-phenyl-acetonitrile,benzeneacetonitrile, 2-trifluoromethoxy |
| IUPAC Name | 2-[2-(trifluoromethoxy)phenyl]acetonitrile |
| InChI Key | OIKWCWVMUBCXJM-UHFFFAOYSA-N |
| Molecular Formula | C9H6F3NO |