Benzenoids
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4-Chlorobenzophenone, 99%
CAS: 134-85-0 Molecular Formula: C13H9ClO Molecular Weight (g/mol): 216.664 MDL Number: MFCD00000622 InChI Key: UGVRJVHOJNYEHR-UHFFFAOYSA-N Synonym: 4-chlorobenzophenone,4-chlorophenyl phenyl methanone,p-chlorobenzophenone,methanone, 4-chlorophenyl phenyl,benzophenone, 4-chloro,p-cbp,unii-wih1iz728u,4-chloro benzophenone,4-chlorophenyl-phenylmethanone,wih1iz728u PubChem CID: 8653 IUPAC Name: (4-chlorophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
| PubChem CID | 8653 |
|---|---|
| CAS | 134-85-0 |
| Molecular Weight (g/mol) | 216.664 |
| MDL Number | MFCD00000622 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl |
| Synonym | 4-chlorobenzophenone,4-chlorophenyl phenyl methanone,p-chlorobenzophenone,methanone, 4-chlorophenyl phenyl,benzophenone, 4-chloro,p-cbp,unii-wih1iz728u,4-chloro benzophenone,4-chlorophenyl-phenylmethanone,wih1iz728u |
| IUPAC Name | (4-chlorophenyl)-phenylmethanone |
| InChI Key | UGVRJVHOJNYEHR-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClO |
Benzoic acid, 99.6%, ACS reagent
CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O
| PubChem CID | 243 |
|---|---|
| CAS | 65-85-0 |
| Molecular Weight (g/mol) | 122.12 |
| ChEBI | CHEBI:30746 |
| SMILES | C1=CC=C(C=C1)C(=O)O |
| Synonym | benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv |
| IUPAC Name | benzoic acid |
| InChI Key | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
4-Acetamidophenol, 98%
CAS: 103-90-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00002328 InChI Key: RZVAJINKPMORJF-UHFFFAOYSA-N Synonym: acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol PubChem CID: 1983 ChEBI: CHEBI:46195 IUPAC Name: N-(4-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC=C(O)C=C1
| PubChem CID | 1983 |
|---|---|
| CAS | 103-90-2 |
| Molecular Weight (g/mol) | 151.17 |
| ChEBI | CHEBI:46195 |
| MDL Number | MFCD00002328 |
| SMILES | CC(=O)NC1=CC=C(O)C=C1 |
| Synonym | acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol |
| IUPAC Name | N-(4-hydroxyphenyl)acetamide |
| InChI Key | RZVAJINKPMORJF-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
2,5-Dihydroxybenzoic acid, 99%
CAS: 490-79-9 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00002460 InChI Key: WXTMDXOMEHJXQO-UHFFFAOYSA-N Synonym: gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid PubChem CID: 3469 ChEBI: CHEBI:17189 IUPAC Name: 2,5-dihydroxybenzoic acid SMILES: C1=CC(=C(C=C1O)C(=O)O)O
| PubChem CID | 3469 |
|---|---|
| CAS | 490-79-9 |
| Molecular Weight (g/mol) | 154.12 |
| ChEBI | CHEBI:17189 |
| MDL Number | MFCD00002460 |
| SMILES | C1=CC(=C(C=C1O)C(=O)O)O |
| Synonym | gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid |
| IUPAC Name | 2,5-dihydroxybenzoic acid |
| InChI Key | WXTMDXOMEHJXQO-UHFFFAOYSA-N |
| Molecular Formula | C7H6O4 |
Methyl salicylate, 99%
CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002214 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N Synonym: methyl salicylate,wintergreen oil,gaultheria oil,betula oil,teaberry oil,sweet birch oil,oil of wintergreen,analgit,spicewood oil,2-hydroxybenzoic acid methyl ester PubChem CID: 4133 ChEBI: CHEBI:31832 IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O
| PubChem CID | 4133 |
|---|---|
| CAS | 119-36-8 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:31832 |
| MDL Number | MFCD00002214 |
| SMILES | COC(=O)C1=CC=CC=C1O |
| Synonym | methyl salicylate,wintergreen oil,gaultheria oil,betula oil,teaberry oil,sweet birch oil,oil of wintergreen,analgit,spicewood oil,2-hydroxybenzoic acid methyl ester |
| IUPAC Name | methyl 2-hydroxybenzoate |
| InChI Key | OSWPMRLSEDHDFF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
9-Fluorenylmethyl chloroformate, 98%
CAS: 28920-43-6 Molecular Formula: C15H11ClO2 Molecular Weight (g/mol): 258.69 MDL Number: MFCD00001138 InChI Key: IRXSLJNXXZKURP-UHFFFAOYSA-N Synonym: 9-fluorenylmethyl chloroformate,fmoc-cl,fmoc-chloride,fmoc chloride,9h-fluoren-9-ylmethyl chloroformate,carbonochloridic acid, 9h-fluoren-9-ylmethyl ester,9-fluorenylmethoxycarbonyl chloride,9-fluorenylmethylchloroformate,9h-fluoren-9-yl methyl carbonochloridate,9h-fluoren-9-ylmethoxy carbonyl chloride PubChem CID: 34367 IUPAC Name: 9H-fluoren-9-ylmethyl carbonochloridate SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)Cl
| PubChem CID | 34367 |
|---|---|
| CAS | 28920-43-6 |
| Molecular Weight (g/mol) | 258.69 |
| MDL Number | MFCD00001138 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)Cl |
| Synonym | 9-fluorenylmethyl chloroformate,fmoc-cl,fmoc-chloride,fmoc chloride,9h-fluoren-9-ylmethyl chloroformate,carbonochloridic acid, 9h-fluoren-9-ylmethyl ester,9-fluorenylmethoxycarbonyl chloride,9-fluorenylmethylchloroformate,9h-fluoren-9-yl methyl carbonochloridate,9h-fluoren-9-ylmethoxy carbonyl chloride |
| IUPAC Name | 9H-fluoren-9-ylmethyl carbonochloridate |
| InChI Key | IRXSLJNXXZKURP-UHFFFAOYSA-N |
| Molecular Formula | C15H11ClO2 |
2,3-Dihydroxynaphthalene, 98%
CAS: 92-44-4 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00004073 InChI Key: JRNGUTKWMSBIBF-UHFFFAOYSA-N Synonym: 2,3-dihydroxynaphthalene,2,3-naphthalenediol,2,3-dihydroxynapthalene,2,3-dihydroxy naphthalene,2,3-dihydroxynaphthlene,naphthalenediol-2,3,3-hydroxy-2-naphthol,2,3dihydroxynaphthalene,acmc-209rfr,2,3-dihydroxylnaphthalene PubChem CID: 7091 ChEBI: CHEBI:38135 IUPAC Name: naphthalene-2,3-diol SMILES: OC1=C(O)C=C2C=CC=CC2=C1
| PubChem CID | 7091 |
|---|---|
| CAS | 92-44-4 |
| Molecular Weight (g/mol) | 160.17 |
| ChEBI | CHEBI:38135 |
| MDL Number | MFCD00004073 |
| SMILES | OC1=C(O)C=C2C=CC=CC2=C1 |
| Synonym | 2,3-dihydroxynaphthalene,2,3-naphthalenediol,2,3-dihydroxynapthalene,2,3-dihydroxy naphthalene,2,3-dihydroxynaphthlene,naphthalenediol-2,3,3-hydroxy-2-naphthol,2,3dihydroxynaphthalene,acmc-209rfr,2,3-dihydroxylnaphthalene |
| IUPAC Name | naphthalene-2,3-diol |
| InChI Key | JRNGUTKWMSBIBF-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
3-(Trifluoromethyl)phenyltrimethylammonium hydroxide, 5% w/v in methanol
CAS: 68254-41-1 Molecular Formula: C10H14F3NO Molecular Weight (g/mol): 221.223 MDL Number: MFCD00059473 InChI Key: BFPOZPZYPNVMHU-UHFFFAOYSA-M Synonym: 3-trifluoromethyl phenyltrimethylammonium hydroxide,m-tfptah,trifluoromethylphenyltrimethylammoniumhydroxide,3-trifluoromethyl phenyltrimethylammonium hydroxide in methanol,n,n,n-trimethyl-3-trifluoromethyl anilinium hydroxide,trimethyl-3-trifluoromethyl phenyl azanium hydroxide,m-trifluoromethylphenyl trimethylammonium hydroxide,trimethyl-3-trifluoromethylphenylammonium hydroxide,n,n,n-trimethyl-3-trifluoromethyl anilinium oxidanide,trimethyl-alpha,alpha,alpha-trifluoro-m-tolylammonium hydroxide PubChem CID: 2760772 IUPAC Name: trimethyl-[3-(trifluoromethyl)phenyl]azanium;hydroxide SMILES: C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[OH-]
| PubChem CID | 2760772 |
|---|---|
| CAS | 68254-41-1 |
| Molecular Weight (g/mol) | 221.223 |
| MDL Number | MFCD00059473 |
| SMILES | C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[OH-] |
| Synonym | 3-trifluoromethyl phenyltrimethylammonium hydroxide,m-tfptah,trifluoromethylphenyltrimethylammoniumhydroxide,3-trifluoromethyl phenyltrimethylammonium hydroxide in methanol,n,n,n-trimethyl-3-trifluoromethyl anilinium hydroxide,trimethyl-3-trifluoromethyl phenyl azanium hydroxide,m-trifluoromethylphenyl trimethylammonium hydroxide,trimethyl-3-trifluoromethylphenylammonium hydroxide,n,n,n-trimethyl-3-trifluoromethyl anilinium oxidanide,trimethyl-alpha,alpha,alpha-trifluoro-m-tolylammonium hydroxide |
| IUPAC Name | trimethyl-[3-(trifluoromethyl)phenyl]azanium;hydroxide |
| InChI Key | BFPOZPZYPNVMHU-UHFFFAOYSA-M |
| Molecular Formula | C10H14F3NO |
Triphenylphosphonium bromide, 99%
CAS: 6399-81-1 Molecular Formula: C18H16BrP Molecular Weight (g/mol): 343.20 MDL Number: MFCD00035107 InChI Key: CMSYDJVRTHCWFP-UHFFFAOYSA-N Synonym: triphenylphosphine hydrobromide,triphenylphosphonium bromide,phosphine, triphenyl-, hydrobromide,triphenylphosphane hydrobromide,triphenylphosphine bromine,pubchem13868,ph3p hbr,ph3p . hbr,unappfzuzwmopv-uhfffaoysa-n PubChem CID: 80811 IUPAC Name: triphenylphosphane;hydrobromide SMILES: Br.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 80811 |
|---|---|
| CAS | 6399-81-1 |
| Molecular Weight (g/mol) | 343.20 |
| MDL Number | MFCD00035107 |
| SMILES | Br.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | triphenylphosphine hydrobromide,triphenylphosphonium bromide,phosphine, triphenyl-, hydrobromide,triphenylphosphane hydrobromide,triphenylphosphine bromine,pubchem13868,ph3p hbr,ph3p . hbr,unappfzuzwmopv-uhfffaoysa-n |
| IUPAC Name | triphenylphosphane;hydrobromide |
| InChI Key | CMSYDJVRTHCWFP-UHFFFAOYSA-N |
| Molecular Formula | C18H16BrP |
Propyl 4-Hydroxybenzoate 99.0+%, TCI America™
CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonym: propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 7175 |
|---|---|
| CAS | 94-13-3 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:32063 |
| MDL Number | MFCD00002354 |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)O |
| Synonym | propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
(4-Bromobutyl)triphenylphosphonium bromide, 98%
CAS: 7333-63-3 Molecular Formula: C22H23Br2P Molecular Weight (g/mol): 478.21 MDL Number: MFCD00031636 InChI Key: BJDNCJGRAMGIRU-UHFFFAOYSA-M Synonym: 4-bromobutyl triphenylphosphonium bromide,4-bromobutyl triphenyl phosphonium bromide,4-bromobutyl triphenylphosphanium bromide,4-bromobutyl-triphenylphosphonium bromide,4-bromobutyl triphenyl phosphanium bromide,4-bromobutyl triphenyl-phosphonium bromide,4-bromo butyl triphenylphosphonium bromide,4-bromanylbutyl triphenyl phosphanium bromide,phosphonium, 4-bromobutyl triphenyl-,bromide 1:1,phosphonium, 4-bromobutyl triphenyl-, bromide 1:1 PubChem CID: 2733851 IUPAC Name: 4-bromobutyl(triphenyl)phosphanium;bromide SMILES: [Br-].BrCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2733851 |
|---|---|
| CAS | 7333-63-3 |
| Molecular Weight (g/mol) | 478.21 |
| MDL Number | MFCD00031636 |
| SMILES | [Br-].BrCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 4-bromobutyl triphenylphosphonium bromide,4-bromobutyl triphenyl phosphonium bromide,4-bromobutyl triphenylphosphanium bromide,4-bromobutyl-triphenylphosphonium bromide,4-bromobutyl triphenyl phosphanium bromide,4-bromobutyl triphenyl-phosphonium bromide,4-bromo butyl triphenylphosphonium bromide,4-bromanylbutyl triphenyl phosphanium bromide,phosphonium, 4-bromobutyl triphenyl-,bromide 1:1,phosphonium, 4-bromobutyl triphenyl-, bromide 1:1 |
| IUPAC Name | 4-bromobutyl(triphenyl)phosphanium;bromide |
| InChI Key | BJDNCJGRAMGIRU-UHFFFAOYSA-M |
| Molecular Formula | C22H23Br2P |
Disodium terephthalate, 99+%
CAS: 10028-70-3 Molecular Formula: C8H4Na2O4 Molecular Weight (g/mol): 210.096 MDL Number: MFCD00013137 InChI Key: VIQSRHWJEKERKR-UHFFFAOYSA-L Synonym: disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? PubChem CID: 82305 IUPAC Name: disodium;terephthalate SMILES: C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
| PubChem CID | 82305 |
|---|---|
| CAS | 10028-70-3 |
| Molecular Weight (g/mol) | 210.096 |
| MDL Number | MFCD00013137 |
| SMILES | C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| Synonym | disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? |
| IUPAC Name | disodium;terephthalate |
| InChI Key | VIQSRHWJEKERKR-UHFFFAOYSA-L |
| Molecular Formula | C8H4Na2O4 |
Benzylamine, 98+%
CAS: 100-46-9 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 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) | 107.156 |
| 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 |
4-Chlorostyrene, 98+%, stab
CAS: 1073-67-2 Molecular Formula: C8H7Cl Molecular Weight (g/mol): 138.59 MDL Number: MFCD00000632 InChI Key: KTZVZZJJVJQZHV-UHFFFAOYSA-N Synonym: 4-chlorostyrene,p-chlorostyrene,1-chloro-4-vinylbenzene,parachlorostyrene,benzene, 1-chloro-4-ethenyl,styrene, p-chloro,styrene, 4-chloro,unii-t0j05u220f,para-chlorostyrene PubChem CID: 14085 IUPAC Name: 1-chloro-4-ethenylbenzene SMILES: ClC1=CC=C(C=C)C=C1
| PubChem CID | 14085 |
|---|---|
| CAS | 1073-67-2 |
| Molecular Weight (g/mol) | 138.59 |
| MDL Number | MFCD00000632 |
| SMILES | ClC1=CC=C(C=C)C=C1 |
| Synonym | 4-chlorostyrene,p-chlorostyrene,1-chloro-4-vinylbenzene,parachlorostyrene,benzene, 1-chloro-4-ethenyl,styrene, p-chloro,styrene, 4-chloro,unii-t0j05u220f,para-chlorostyrene |
| IUPAC Name | 1-chloro-4-ethenylbenzene |
| InChI Key | KTZVZZJJVJQZHV-UHFFFAOYSA-N |
| Molecular Formula | C8H7Cl |
Triphenylmethane, 99+%
CAS: 519-73-3 Molecular Formula: C19H16 Molecular Weight (g/mol): 244.34 MDL Number: MFCD00004763 InChI Key: AAAQKTZKLRYKHR-UHFFFAOYSA-N Synonym: triphenylmethane,tritane,benzene, 1,1',1-methylidynetris,methane, triphenyl,diphenylmethyl benzene,1,1',1-methanetriyltribenzene,unii-8o4utw9e17,ccris 5194,triphenyl methane,triphenylmethane? PubChem CID: 10614 ChEBI: CHEBI:76212 IUPAC Name: benzhydrylbenzene SMILES: C1=CC=C(C=C1)C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 10614 |
|---|---|
| CAS | 519-73-3 |
| Molecular Weight (g/mol) | 244.34 |
| ChEBI | CHEBI:76212 |
| MDL Number | MFCD00004763 |
| SMILES | C1=CC=C(C=C1)C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | triphenylmethane,tritane,benzene, 1,1',1-methylidynetris,methane, triphenyl,diphenylmethyl benzene,1,1',1-methanetriyltribenzene,unii-8o4utw9e17,ccris 5194,triphenyl methane,triphenylmethane? |
| IUPAC Name | benzhydrylbenzene |
| InChI Key | AAAQKTZKLRYKHR-UHFFFAOYSA-N |
| Molecular Formula | C19H16 |