Benzenoids
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4'-Ethoxyacetanilide, 97%, Thermo Scientific Chemicals
CAS: 62-44-2 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00009094 InChI Key: CPJSUEIXXCENMM-UHFFFAOYSA-N Synonym: phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin PubChem CID: 4754 ChEBI: CHEBI:8050 IUPAC Name: N-(4-ethoxyphenyl)acetamide SMILES: CCOC1=CC=C(C=C1)NC(=O)C
| PubChem CID | 4754 |
|---|---|
| CAS | 62-44-2 |
| Molecular Weight (g/mol) | 179.219 |
| ChEBI | CHEBI:8050 |
| MDL Number | MFCD00009094 |
| SMILES | CCOC1=CC=C(C=C1)NC(=O)C |
| Synonym | phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin |
| IUPAC Name | N-(4-ethoxyphenyl)acetamide |
| InChI Key | CPJSUEIXXCENMM-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |
Thiophenol, 99%, AcroSeal™
CAS: 108-98-5 Molecular Formula: C6H6S Molecular Weight (g/mol): 110.17 MDL Number: MFCD00004826 InChI Key: RMVRSNDYEFQCLF-UHFFFAOYSA-N Synonym: thiophenol,phenyl mercaptan,mercaptobenzene,phenylthiol,phenylmercaptan,thiofenol,phenol, thio,thiophenate,thiofenol czech,benzene, mercapto PubChem CID: 7969 ChEBI: CHEBI:48498 IUPAC Name: benzenethiol SMILES: C1=CC=C(C=C1)S
| PubChem CID | 7969 |
|---|---|
| CAS | 108-98-5 |
| Molecular Weight (g/mol) | 110.17 |
| ChEBI | CHEBI:48498 |
| MDL Number | MFCD00004826 |
| SMILES | C1=CC=C(C=C1)S |
| Synonym | thiophenol,phenyl mercaptan,mercaptobenzene,phenylthiol,phenylmercaptan,thiofenol,phenol, thio,thiophenate,thiofenol czech,benzene, mercapto |
| IUPAC Name | benzenethiol |
| InChI Key | RMVRSNDYEFQCLF-UHFFFAOYSA-N |
| Molecular Formula | C6H6S |
Dibenzoyl peroxide, 75%, remainder water
CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00003071 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N Synonym: benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide PubChem CID: 7187 ChEBI: CHEBI:82405 IUPAC Name: benzoyl benzenecarboperoxoate SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
| PubChem CID | 7187 |
|---|---|
| CAS | 94-36-0 |
| Molecular Weight (g/mol) | 242.23 |
| ChEBI | CHEBI:82405 |
| MDL Number | MFCD00003071 |
| SMILES | C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2 |
| Synonym | benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide |
| IUPAC Name | benzoyl benzenecarboperoxoate |
| InChI Key | OMPJBNCRMGITSC-UHFFFAOYSA-N |
| Molecular Formula | C14H10O4 |
Cinnamoyl chloride, 98%, predominantly trans
CAS: 102-92-1 Molecular Formula: C9H7ClO Molecular Weight (g/mol): 166.61 MDL Number: MFCD00000732 InChI Key: WOGITNXCNOTRLK-VOTSOKGWSA-N Synonym: cinnamoyl chloride,cinnamic acid chloride,cinnamic chloride,trans-3-phenylacryloyl chloride,2-propenoyl chloride, 3-phenyl,cinnamoylchloride,e-cinnamoyl chloride,trans-cinnamoyl chloride,2e-3-phenylprop-2-enoyl chloride,3-phenyl-2-propenoyl chloride PubChem CID: 5354261 IUPAC Name: (E)-3-phenylprop-2-enoyl chloride SMILES: C1=CC=C(C=C1)C=CC(=O)Cl
| PubChem CID | 5354261 |
|---|---|
| CAS | 102-92-1 |
| Molecular Weight (g/mol) | 166.61 |
| MDL Number | MFCD00000732 |
| SMILES | C1=CC=C(C=C1)C=CC(=O)Cl |
| Synonym | cinnamoyl chloride,cinnamic acid chloride,cinnamic chloride,trans-3-phenylacryloyl chloride,2-propenoyl chloride, 3-phenyl,cinnamoylchloride,e-cinnamoyl chloride,trans-cinnamoyl chloride,2e-3-phenylprop-2-enoyl chloride,3-phenyl-2-propenoyl chloride |
| IUPAC Name | (E)-3-phenylprop-2-enoyl chloride |
| InChI Key | WOGITNXCNOTRLK-VOTSOKGWSA-N |
| Molecular Formula | C9H7ClO |
4-Chlorobenzotrifluoride, 98+%
CAS: 98-56-6 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.554 MDL Number: MFCD00000627 InChI Key: QULYNCCPRWKEMF-UHFFFAOYSA-N Synonym: 4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene PubChem CID: 7394 IUPAC Name: 1-chloro-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)Cl
| PubChem CID | 7394 |
|---|---|
| CAS | 98-56-6 |
| Molecular Weight (g/mol) | 180.554 |
| MDL Number | MFCD00000627 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)Cl |
| Synonym | 4-chlorobenzotrifluoride,p-chlorobenzotrifluoride,1-chloro-4-trifluoromethyl benzene,benzene, 1-chloro-4-trifluoromethyl,4-chloro-alpha,alpha,alpha-trifluorotoluene,para-chlorobenzotrifluoride,p-chlorophenyl trifluoromethane,p-chloro-a,a,a-trifluorotoluene,pcbtf,p-chlorotrifluoromethylbenzene |
| IUPAC Name | 1-chloro-4-(trifluoromethyl)benzene |
| InChI Key | QULYNCCPRWKEMF-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClF3 |
2-Formylbenzeneboronic acid, 97%
CAS: 40138-16-7 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00151822 InChI Key: DGUWACLYDSWXRZ-UHFFFAOYSA-N Synonym: 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid PubChem CID: 292189 IUPAC Name: (2-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1C=O
| PubChem CID | 292189 |
|---|---|
| CAS | 40138-16-7 |
| Molecular Weight (g/mol) | 149.94 |
| MDL Number | MFCD00151822 |
| SMILES | OB(O)C1=CC=CC=C1C=O |
| Synonym | 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid |
| IUPAC Name | (2-formylphenyl)boronic acid |
| InChI Key | DGUWACLYDSWXRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO3 |
Anthrone, ACS reagent
CAS: 90-44-8 Molecular Formula: C14H10O Molecular Weight (g/mol): 194.23 MDL Number: MFCD00001187 InChI Key: RJGDLRCDCYRQOQ-UHFFFAOYSA-N Synonym: anthrone,9 10h-anthracenone,carbothrone,anthranone,9-oxoanthracene,9,10-dihydro-9-oxoanthracene,az-o,anthracen-9 10h-one,anthracene, 9,10-dihydro-9-oxo,unii-fp0fj7k744 PubChem CID: 7018 ChEBI: CHEBI:33835 IUPAC Name: 10H-anthracen-9-one SMILES: O=C1C2=CC=CC=C2CC2=CC=CC=C12
| PubChem CID | 7018 |
|---|---|
| CAS | 90-44-8 |
| Molecular Weight (g/mol) | 194.23 |
| ChEBI | CHEBI:33835 |
| MDL Number | MFCD00001187 |
| SMILES | O=C1C2=CC=CC=C2CC2=CC=CC=C12 |
| Synonym | anthrone,9 10h-anthracenone,carbothrone,anthranone,9-oxoanthracene,9,10-dihydro-9-oxoanthracene,az-o,anthracen-9 10h-one,anthracene, 9,10-dihydro-9-oxo,unii-fp0fj7k744 |
| IUPAC Name | 10H-anthracen-9-one |
| InChI Key | RJGDLRCDCYRQOQ-UHFFFAOYSA-N |
| Molecular Formula | C14H10O |
2-Hydroxy-4-(methacryloyloxy)benzophenone, 99%
CAS: 2035-72-5 Molecular Formula: C17H14O4 Molecular Weight (g/mol): 282.295 MDL Number: MFCD00080561 InChI Key: IMNBHNRXUAJVQE-UHFFFAOYSA-N Synonym: 4-benzoyl-3-hydroxyphenyl methacrylate,4-methacryloxy-2-hydroxybenzophenone,2-hydroxy-4-methacryloyloxy benzophenone,methacrylic acid 4-benzoyl-3-hydroxyphenyl ester,3-hydroxy-4-phenylcarbonyl phenyl 2-methylprop-2-enoate,2-propenoic acid, 2-methyl-, 4-benzoyl-3-hydroxyphenyl ester,acmc-20amfp,2-hydroxy-4-methacryloxybenzophenone,2-hydroxy-4-methacryloyloxybenzophenone PubChem CID: 74856 IUPAC Name: (4-benzoyl-3-hydroxyphenyl) 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
| PubChem CID | 74856 |
|---|---|
| CAS | 2035-72-5 |
| Molecular Weight (g/mol) | 282.295 |
| MDL Number | MFCD00080561 |
| SMILES | CC(=C)C(=O)OC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O |
| Synonym | 4-benzoyl-3-hydroxyphenyl methacrylate,4-methacryloxy-2-hydroxybenzophenone,2-hydroxy-4-methacryloyloxy benzophenone,methacrylic acid 4-benzoyl-3-hydroxyphenyl ester,3-hydroxy-4-phenylcarbonyl phenyl 2-methylprop-2-enoate,2-propenoic acid, 2-methyl-, 4-benzoyl-3-hydroxyphenyl ester,acmc-20amfp,2-hydroxy-4-methacryloxybenzophenone,2-hydroxy-4-methacryloyloxybenzophenone |
| IUPAC Name | (4-benzoyl-3-hydroxyphenyl) 2-methylprop-2-enoate |
| InChI Key | IMNBHNRXUAJVQE-UHFFFAOYSA-N |
| Molecular Formula | C17H14O4 |
O-Acetylsalicylic acid, 99%
CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N Synonym: aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin PubChem CID: 2244 ChEBI: CHEBI:15365 IUPAC Name: 2-acetyloxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O
| PubChem CID | 2244 |
|---|---|
| CAS | 50-78-2 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:15365 |
| MDL Number | MFCD00002430 |
| SMILES | CC(=O)OC1=CC=CC=C1C(O)=O |
| Synonym | aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin |
| IUPAC Name | 2-acetyloxybenzoic acid |
| InChI Key | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
Salicylamide, 98%
CAS: 65-45-2 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007978 InChI Key: SKZKKFZAGNVIMN-UHFFFAOYSA-N Synonym: salicylamide,o-hydroxybenzamide,benzamide, 2-hydroxy,salicylic acid amide,2-carbamoylphenol,flarpirina,morsarinas,algamon,algiamida,allevin PubChem CID: 5147 ChEBI: CHEBI:32114 IUPAC Name: 2-hydroxybenzamide SMILES: NC(=O)C1=CC=CC=C1O
| PubChem CID | 5147 |
|---|---|
| CAS | 65-45-2 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:32114 |
| MDL Number | MFCD00007978 |
| SMILES | NC(=O)C1=CC=CC=C1O |
| Synonym | salicylamide,o-hydroxybenzamide,benzamide, 2-hydroxy,salicylic acid amide,2-carbamoylphenol,flarpirina,morsarinas,algamon,algiamida,allevin |
| IUPAC Name | 2-hydroxybenzamide |
| InChI Key | SKZKKFZAGNVIMN-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
4,5-Dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, ACS
CAS: 5808-22-0 Molecular Formula: C10H10Na2O10S2 Molecular Weight (g/mol): 400.28 MDL Number: MFCD00150612 InChI Key: QUEAKWJKJBFNEG-UHFFFAOYSA-L Synonym: chromotropic acid sodium salt,4,5-dihydroxy-2,7-naphthalenedisulfonate,di sodium; 4,5-dihydroxy-7-sulfo-naphthalene-2-sulfonic acid,4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, acs 5g PubChem CID: 124202444 IUPAC Name: 2,7-disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate SMILES: O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(=O)(=O)O[Na])S(=O)(=O)O[Na]
| PubChem CID | 124202444 |
|---|---|
| CAS | 5808-22-0 |
| Molecular Weight (g/mol) | 400.28 |
| MDL Number | MFCD00150612 |
| SMILES | O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(=O)(=O)O[Na])S(=O)(=O)O[Na] |
| Synonym | chromotropic acid sodium salt,4,5-dihydroxy-2,7-naphthalenedisulfonate,di sodium; 4,5-dihydroxy-7-sulfo-naphthalene-2-sulfonic acid,4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, acs 5g |
| IUPAC Name | 2,7-disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate |
| InChI Key | QUEAKWJKJBFNEG-UHFFFAOYSA-L |
| Molecular Formula | C10H10Na2O10S2 |
Benzylamine, 99%, pure
CAS: 100-46-9 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.15 MDL Number: MFCD00008106 InChI Key: WGQKYBSKWIADBV-UHFFFAOYSA-N Synonym: benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine PubChem CID: 7504 ChEBI: CHEBI:40538 IUPAC Name: phenylmethanamine SMILES: C1=CC=C(C=C1)CN
| PubChem CID | 7504 |
|---|---|
| CAS | 100-46-9 |
| Molecular Weight (g/mol) | 107.15 |
| ChEBI | CHEBI:40538 |
| MDL Number | MFCD00008106 |
| SMILES | C1=CC=C(C=C1)CN |
| Synonym | benzylamine,benzenemethanamine,monobenzylamine,alpha-aminotoluene,phenylmethyl amine,aminomethyl benzene,1-phenylmethanamine,moringine,n-benzylamine,phenylmethylamine |
| IUPAC Name | phenylmethanamine |
| InChI Key | WGQKYBSKWIADBV-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
3-Fluorobenzoic acid, 99%
CAS: 455-38-9 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.11 MDL Number: MFCD00002489 InChI Key: MXNBDFWNYRNIBH-UHFFFAOYSA-N Synonym: m-fluorobenzoic acid,benzoic acid, 3-fluoro,meta-fluorobenzoic acid,benzoic acid, m-fluoro,3-fluoro-benzoic acid,3-fluorobenzoicacid,pubchem3480,3-fluorobenzoic acid,ksc235q1b,paragos 390192 PubChem CID: 9968 ChEBI: CHEBI:20021 IUPAC Name: 3-fluorobenzoic acid SMILES: OC(=O)C1=CC=CC(F)=C1
| PubChem CID | 9968 |
|---|---|
| CAS | 455-38-9 |
| Molecular Weight (g/mol) | 140.11 |
| ChEBI | CHEBI:20021 |
| MDL Number | MFCD00002489 |
| SMILES | OC(=O)C1=CC=CC(F)=C1 |
| Synonym | m-fluorobenzoic acid,benzoic acid, 3-fluoro,meta-fluorobenzoic acid,benzoic acid, m-fluoro,3-fluoro-benzoic acid,3-fluorobenzoicacid,pubchem3480,3-fluorobenzoic acid,ksc235q1b,paragos 390192 |
| IUPAC Name | 3-fluorobenzoic acid |
| InChI Key | MXNBDFWNYRNIBH-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
4-Nitrophenyl palmitate, 98+%
CAS: 1492-30-4 Molecular Formula: C22H35NO4 Molecular Weight (g/mol): 377.525 MDL Number: MFCD00047732 InChI Key: LVZSQWIWCANHPF-UHFFFAOYSA-N Synonym: 4-nitrophenyl palmitate,p-nitrophenyl palmitate,hexadecanoic acid 4-nitrophenyl ester,4-nitrophenyl hexadecanoate,hexadecanoic acid, 4-nitrophenyl ester,4-nitrophenylpalmitate,paranitrophenyl palmitate,para-nitrophenyl palmitate,p-nitrophenyl hexadecanoate,4-nitrophenyl palmitate # PubChem CID: 73891 ChEBI: CHEBI:85645 IUPAC Name: (4-nitrophenyl) hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 73891 |
|---|---|
| CAS | 1492-30-4 |
| Molecular Weight (g/mol) | 377.525 |
| ChEBI | CHEBI:85645 |
| MDL Number | MFCD00047732 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | 4-nitrophenyl palmitate,p-nitrophenyl palmitate,hexadecanoic acid 4-nitrophenyl ester,4-nitrophenyl hexadecanoate,hexadecanoic acid, 4-nitrophenyl ester,4-nitrophenylpalmitate,paranitrophenyl palmitate,para-nitrophenyl palmitate,p-nitrophenyl hexadecanoate,4-nitrophenyl palmitate # |
| IUPAC Name | (4-nitrophenyl) hexadecanoate |
| InChI Key | LVZSQWIWCANHPF-UHFFFAOYSA-N |
| Molecular Formula | C22H35NO4 |
(Methoxycarbonylmethylene)triphenylphosphorane, 98%
CAS: 2605-67-6 Molecular Formula: C21H19O2P Molecular Weight (g/mol): 334.36 MDL Number: MFCD00008455 InChI Key: NTNUDYROPUKXNA-UHFFFAOYSA-N Synonym: methyl triphenylphosphoranylidene acetate,carbomethoxymethylene triphenylphosphorane,methyl 2-triphenylphosphoranylidene acetate,acetic acid, triphenylphosphoranylidene-, methyl ester,methyl triphenylphosphoranylideneacetate,triphenylphosphoranylidene acetic acid methyl ester,triphenyl carbomethoxymethylene phosphorane,methoxycarbonylmethylene triphenylphosphorane,acetic acid, 2-triphenylphosphoranylidene-, methyl ester PubChem CID: 17453 IUPAC Name: methyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate SMILES: COC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 17453 |
|---|---|
| CAS | 2605-67-6 |
| Molecular Weight (g/mol) | 334.36 |
| MDL Number | MFCD00008455 |
| SMILES | COC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | methyl triphenylphosphoranylidene acetate,carbomethoxymethylene triphenylphosphorane,methyl 2-triphenylphosphoranylidene acetate,acetic acid, triphenylphosphoranylidene-, methyl ester,methyl triphenylphosphoranylideneacetate,triphenylphosphoranylidene acetic acid methyl ester,triphenyl carbomethoxymethylene phosphorane,methoxycarbonylmethylene triphenylphosphorane,acetic acid, 2-triphenylphosphoranylidene-, methyl ester |
| IUPAC Name | methyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate |
| InChI Key | NTNUDYROPUKXNA-UHFFFAOYSA-N |
| Molecular Formula | C21H19O2P |