Benzenoids
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Bis(triphenylphosphoranylidene)ammonium chloride, 97% (dry wt.), water <3%
CAS: 21050-13-5 Molecular Formula: C36H30ClNP2 Molecular Weight (g/mol): 574.04 MDL Number: MFCD00151523 InChI Key: LVRCYPYRKNAAMX-UHFFFAOYSA-M Synonym: 1,1,1-triphenyl-n-triphenylphosphoranylidene phosphoraniminium chloride,bis triphenylphosphoranylidene ammonium chloride,bis triphenylphosphoranylidene ammonium,triphenyl p,p,p-triphenylphosphine imidato-n phosphorus 1+ tetracarbonylcobaltate 1-,bis triphenylphosphine iminium chloride∼ppncl,ppn chloride,ppn cl,ksc491c1r,parent,triphenyl p,p,p-triphenylphosphine imidato phosphorus 1+ chloride PubChem CID: 3036656 IUPAC Name: triphenyl-[(triphenyl-$l^{5}-phosphanylidene)amino]phosphanium;chloride SMILES: [Cl-].C1=CC=C(C=C1)P(=[N+]=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 3036656 |
|---|---|
| CAS | 21050-13-5 |
| Molecular Weight (g/mol) | 574.04 |
| MDL Number | MFCD00151523 |
| SMILES | [Cl-].C1=CC=C(C=C1)P(=[N+]=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1,1,1-triphenyl-n-triphenylphosphoranylidene phosphoraniminium chloride,bis triphenylphosphoranylidene ammonium chloride,bis triphenylphosphoranylidene ammonium,triphenyl p,p,p-triphenylphosphine imidato-n phosphorus 1+ tetracarbonylcobaltate 1-,bis triphenylphosphine iminium chloride∼ppncl,ppn chloride,ppn cl,ksc491c1r,parent,triphenyl p,p,p-triphenylphosphine imidato phosphorus 1+ chloride |
| IUPAC Name | triphenyl-[(triphenyl-$l^{5}-phosphanylidene)amino]phosphanium;chloride |
| InChI Key | LVRCYPYRKNAAMX-UHFFFAOYSA-M |
| Molecular Formula | C36H30ClNP2 |
Sodium phenylpyruvate, 98%
CAS: 114-76-1 Molecular Formula: C9H7NaO3 Molecular Weight (g/mol): 186.142 MDL Number: MFCD00002590 InChI Key: MQGYVGKMCRDEAF-UHFFFAOYSA-M Synonym: sodium phenylpyruvate,phenylpyruvic acid sodium salt,sodium 2-oxo-3-phenylpropanoate,unii-7528cw33ww,sodium ?-phenylpyruvate,phenylpyruvic acid, sodium salt,l-phenyl pyruvic acid sodium salt,beta-phenylpyruvic acid sodium salt,2-oxo-3-phenylpropionic acid,3-phenyl-2-oxopropanoic acid, sodium salt PubChem CID: 23667645 IUPAC Name: sodium;2-oxo-3-phenylpropanoate SMILES: C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Na+]
| PubChem CID | 23667645 |
|---|---|
| CAS | 114-76-1 |
| Molecular Weight (g/mol) | 186.142 |
| MDL Number | MFCD00002590 |
| SMILES | C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Na+] |
| Synonym | sodium phenylpyruvate,phenylpyruvic acid sodium salt,sodium 2-oxo-3-phenylpropanoate,unii-7528cw33ww,sodium ?-phenylpyruvate,phenylpyruvic acid, sodium salt,l-phenyl pyruvic acid sodium salt,beta-phenylpyruvic acid sodium salt,2-oxo-3-phenylpropionic acid,3-phenyl-2-oxopropanoic acid, sodium salt |
| IUPAC Name | sodium;2-oxo-3-phenylpropanoate |
| InChI Key | MQGYVGKMCRDEAF-UHFFFAOYSA-M |
| Molecular Formula | C9H7NaO3 |
4-Fluoroaniline, 98%
CAS: 371-40-4 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.12 MDL Number: MFCD00007829 InChI Key: KRZCOLNOCZKSDF-UHFFFAOYSA-N Synonym: p-fluoroaniline,benzenamine, 4-fluoro,1-amino-4-fluorobenzene,4-fluorobenzenamine,p-fluorophenylamine,4-fluoronaniline,aniline, p-fluoro,aniline, 4-fluoro,4-fluoranilin,para-fluoroaniline PubChem CID: 9731 ChEBI: CHEBI:28546 IUPAC Name: 4-fluoroaniline SMILES: NC1=CC=C(F)C=C1
| PubChem CID | 9731 |
|---|---|
| CAS | 371-40-4 |
| Molecular Weight (g/mol) | 111.12 |
| ChEBI | CHEBI:28546 |
| MDL Number | MFCD00007829 |
| SMILES | NC1=CC=C(F)C=C1 |
| Synonym | p-fluoroaniline,benzenamine, 4-fluoro,1-amino-4-fluorobenzene,4-fluorobenzenamine,p-fluorophenylamine,4-fluoronaniline,aniline, p-fluoro,aniline, 4-fluoro,4-fluoranilin,para-fluoroaniline |
| IUPAC Name | 4-fluoroaniline |
| InChI Key | KRZCOLNOCZKSDF-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN |
p-Toluenesulfonic anhydride, 97%
CAS: 4124-41-8 Molecular Formula: C14H14O5S2 Molecular Weight (g/mol): 326.381 MDL Number: MFCD00008548 InChI Key: PDVFSPNIEOYOQL-UHFFFAOYSA-N Synonym: p-toluenesulfonic anhydride,4-methylbenzenesulfonic anhydride,4-toluenesulfonic anhydride,p-toluenesulfonicanhydride,p-toluene sulfonic anhydride,toluene-p-sulphonic anhydride,4-methylphenyl sulfonyl 4-methylbenzenesulfonate,p-toluenesulphonic anhydride,toluene-4-sulfonic anhydride,benzenesulfonic acid, 4-methyl-, anhydride PubChem CID: 77773 IUPAC Name: (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C
| PubChem CID | 77773 |
|---|---|
| CAS | 4124-41-8 |
| Molecular Weight (g/mol) | 326.381 |
| MDL Number | MFCD00008548 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C |
| Synonym | p-toluenesulfonic anhydride,4-methylbenzenesulfonic anhydride,4-toluenesulfonic anhydride,p-toluenesulfonicanhydride,p-toluene sulfonic anhydride,toluene-p-sulphonic anhydride,4-methylphenyl sulfonyl 4-methylbenzenesulfonate,p-toluenesulphonic anhydride,toluene-4-sulfonic anhydride,benzenesulfonic acid, 4-methyl-, anhydride |
| IUPAC Name | (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate |
| InChI Key | PDVFSPNIEOYOQL-UHFFFAOYSA-N |
| Molecular Formula | C14H14O5S2 |
1-Bromo-2,4-dinitrobenzene, 98%
CAS: 584-48-5 Molecular Formula: C6H3BrN2O4 Molecular Weight (g/mol): 247.004 MDL Number: MFCD00041873 InChI Key: PBOPJYORIDJAFE-UHFFFAOYSA-N PubChem CID: 11441 ChEBI: CHEBI:58999 IUPAC Name: 1-bromo-2,4-dinitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br
| PubChem CID | 11441 |
|---|---|
| CAS | 584-48-5 |
| Molecular Weight (g/mol) | 247.004 |
| ChEBI | CHEBI:58999 |
| MDL Number | MFCD00041873 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br |
| IUPAC Name | 1-bromo-2,4-dinitrobenzene |
| InChI Key | PBOPJYORIDJAFE-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrN2O4 |
4-(Aminomethyl)-2-methoxyphenol Hydrochloride 98.0+%, TCI America™
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CAS: 10-2-7149 Molecular Formula: C8H11ClNO2 Molecular Weight (g/mol): 188.63 MDL Number: MFCD00012864 InChI Key: LOYPVODLNGWOLM-UHFFFAOYSA-N Synonym: 4-hydroxy-3-methoxybenzylamine hydrochloride,4-aminomethyl-2-methoxyphenol hydrochloride,vanillylamine hydrochloride,n-vanillylamine hydrochloride,2-vanillylamine hydrochloride,4-hydroxy-3-methoxybenzylamine hcl,phenol, 4-aminomethyl-2-methoxy-, hydrochloride,4-aminomethyl-2-methoxyphenol, chloride,vanillylamine hcl PubChem CID: 165576 IUPAC Name: 4-(aminomethyl)-2-methoxyphenol;hydrochloride SMILES: COC1=C(C=CC(=C1)CN)O.Cl
| PubChem CID | 165576 |
|---|---|
| CAS | 10-2-7149 |
| Molecular Weight (g/mol) | 188.63 |
| MDL Number | MFCD00012864 |
| SMILES | COC1=C(C=CC(=C1)CN)O.Cl |
| Synonym | 4-hydroxy-3-methoxybenzylamine hydrochloride,4-aminomethyl-2-methoxyphenol hydrochloride,vanillylamine hydrochloride,n-vanillylamine hydrochloride,2-vanillylamine hydrochloride,4-hydroxy-3-methoxybenzylamine hcl,phenol, 4-aminomethyl-2-methoxy-, hydrochloride,4-aminomethyl-2-methoxyphenol, chloride,vanillylamine hcl |
| IUPAC Name | 4-(aminomethyl)-2-methoxyphenol;hydrochloride |
| InChI Key | LOYPVODLNGWOLM-UHFFFAOYSA-N |
| Molecular Formula | C8H11ClNO2 |
Diphenhydramine 98.0+%, TCI America™
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CAS: 58-73-1 Molecular Formula: C17H21NO Molecular Weight (g/mol): 255.361 MDL Number: MFCD00274173 InChI Key: ZZVUWRFHKOJYTH-UHFFFAOYSA-N Synonym: 2-Diphenylmethoxy-N,N-dimethylethylamine, 2-(Benzhydryloxy)-N,N-dimethylethylamine PubChem CID: 3100 ChEBI: CHEBI:4636 IUPAC Name: 2-benzhydryloxy-N,N-dimethylethanamine SMILES: CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
| PubChem CID | 3100 |
|---|---|
| CAS | 58-73-1 |
| Molecular Weight (g/mol) | 255.361 |
| ChEBI | CHEBI:4636 |
| MDL Number | MFCD00274173 |
| SMILES | CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 |
| Synonym | 2-Diphenylmethoxy-N,N-dimethylethylamine, 2-(Benzhydryloxy)-N,N-dimethylethylamine |
| IUPAC Name | 2-benzhydryloxy-N,N-dimethylethanamine |
| InChI Key | ZZVUWRFHKOJYTH-UHFFFAOYSA-N |
| Molecular Formula | C17H21NO |
2,5-Dihydroxybenzoic Acid Sodium Salt Hydrate 98.0+%, TCI America™
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CAS: 4955-90-2 Molecular Formula: C7H5NaO4 Molecular Weight (g/mol): 176.103 MDL Number: MFCD00150273 InChI Key: MOIJZWWOFOQFMH-UHFFFAOYSA-M Synonym: Gentisic Acid Sodium Salt PubChem CID: 23663629 IUPAC Name: sodium;2,5-dihydroxybenzoate SMILES: C1=CC(=C(C=C1O)C(=O)[O-])O.[Na+]
| PubChem CID | 23663629 |
|---|---|
| CAS | 4955-90-2 |
| Molecular Weight (g/mol) | 176.103 |
| MDL Number | MFCD00150273 |
| SMILES | C1=CC(=C(C=C1O)C(=O)[O-])O.[Na+] |
| Synonym | Gentisic Acid Sodium Salt |
| IUPAC Name | sodium;2,5-dihydroxybenzoate |
| InChI Key | MOIJZWWOFOQFMH-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO4 |
4-Chlorobenzyl Chloride 98.0+%, TCI America™
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CAS: 104-83-6 Molecular Formula: C7H6Cl2 Molecular Weight (g/mol): 161.025 MDL Number: MFCD00000914 InChI Key: JQZAEUFPPSRDOP-UHFFFAOYSA-N Synonym: 4-chlorobenzyl chloride,1-chloro-4-chloromethyl benzene,p-chlorobenzyl chloride,benzene, 1-chloro-4-chloromethyl,alpha,4-dichlorotoluene,4-chlorobenzylchloride,4-chlorophenyl methyl chloride,1-chloro-4-chloromethyl-benzene,alpha,p-dichlorotoluene,toluene, p,alpha-dichloro PubChem CID: 7723 IUPAC Name: 1-chloro-4-(chloromethyl)benzene SMILES: C1=CC(=CC=C1CCl)Cl
| PubChem CID | 7723 |
|---|---|
| CAS | 104-83-6 |
| Molecular Weight (g/mol) | 161.025 |
| MDL Number | MFCD00000914 |
| SMILES | C1=CC(=CC=C1CCl)Cl |
| Synonym | 4-chlorobenzyl chloride,1-chloro-4-chloromethyl benzene,p-chlorobenzyl chloride,benzene, 1-chloro-4-chloromethyl,alpha,4-dichlorotoluene,4-chlorobenzylchloride,4-chlorophenyl methyl chloride,1-chloro-4-chloromethyl-benzene,alpha,p-dichlorotoluene,toluene, p,alpha-dichloro |
| IUPAC Name | 1-chloro-4-(chloromethyl)benzene |
| InChI Key | JQZAEUFPPSRDOP-UHFFFAOYSA-N |
| Molecular Formula | C7H6Cl2 |
2,2'-Dithiodibenzoic Acid 96.0+%, TCI America™
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CAS: 119-80-2 Molecular Formula: C14H10O4S2 Molecular Weight (g/mol): 306.35 MDL Number: MFCD00002465 InChI Key: LBEMXJWGHIEXRA-UHFFFAOYSA-N Synonym: 2,2'-dithiodibenzoic acid,2,2'-dithiosalicylic acid,benzoic acid, 2,2'-dithiobis,2-2-carboxyphenyl disulfanyl benzoic acid,bis 2-carboxyphenyl disulfide,bis o-carboxylphenyl disulfide,2,2-dithiosalicylic acid,2,2'-dithiobisbenzoic acid,unii-58mgb5279d,2,2'-dithiodi benzoic acid PubChem CID: 8409 IUPAC Name: 2-[(2-carboxyphenyl)disulfanyl]benzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O
| PubChem CID | 8409 |
|---|---|
| CAS | 119-80-2 |
| Molecular Weight (g/mol) | 306.35 |
| MDL Number | MFCD00002465 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O |
| Synonym | 2,2'-dithiodibenzoic acid,2,2'-dithiosalicylic acid,benzoic acid, 2,2'-dithiobis,2-2-carboxyphenyl disulfanyl benzoic acid,bis 2-carboxyphenyl disulfide,bis o-carboxylphenyl disulfide,2,2-dithiosalicylic acid,2,2'-dithiobisbenzoic acid,unii-58mgb5279d,2,2'-dithiodi benzoic acid |
| IUPAC Name | 2-[(2-carboxyphenyl)disulfanyl]benzoic acid |
| InChI Key | LBEMXJWGHIEXRA-UHFFFAOYSA-N |
| Molecular Formula | C14H10O4S2 |
Triphenylphosphine 95.0+%, TCI America™
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CAS: 603-35-0 Molecular Formula: C18H15P Molecular Weight (g/mol): 262.29 MDL Number: MFCD00003043 MFCD20489348 InChI Key: RIOQSEWOXXDEQQ-UHFFFAOYSA-N Synonym: triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin PubChem CID: 11776 IUPAC Name: triphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11776 |
|---|---|
| CAS | 603-35-0 |
| Molecular Weight (g/mol) | 262.29 |
| MDL Number | MFCD00003043 MFCD20489348 |
| SMILES | C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | triphenylphosphine,triphenyl phosphine,phosphine, triphenyl,triphenylphosphorus,triphenyl-phosphane,triphenylphosphide,phosphorustriphenyl,trifenylfosfin,trifenylfosfin czech,triphenylphosphine resin |
| IUPAC Name | triphenylphosphane |
| InChI Key | RIOQSEWOXXDEQQ-UHFFFAOYSA-N |
| Molecular Formula | C18H15P |
Benzylamine 99.0+%, TCI America™
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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 |
alpha,alpha'-Dibromo-p-xylene 98.0+%, TCI America™
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CAS: 623-24-5 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 MDL Number: MFCD00000182 InChI Key: RBZMSGOBSOCYHR-UHFFFAOYSA-N Synonym: 1,4-bis bromomethyl benzene,p-xylylene dibromide,alpha,alpha'-dibromo-p-xylene,benzene, 1,4-bis bromomethyl,p-xylylene bromide,p-bromomethyl benzene,1,4-dibromomethylbenzene,p-bis bromomethyl benzene,1,4-bis-bromomethyl-benzene,ccris 1775 PubChem CID: 69335 IUPAC Name: 1,4-bis(bromomethyl)benzene SMILES: C1=CC(=CC=C1CBr)CBr
| PubChem CID | 69335 |
|---|---|
| CAS | 623-24-5 |
| Molecular Weight (g/mol) | 263.96 |
| MDL Number | MFCD00000182 |
| SMILES | C1=CC(=CC=C1CBr)CBr |
| Synonym | 1,4-bis bromomethyl benzene,p-xylylene dibromide,alpha,alpha'-dibromo-p-xylene,benzene, 1,4-bis bromomethyl,p-xylylene bromide,p-bromomethyl benzene,1,4-dibromomethylbenzene,p-bis bromomethyl benzene,1,4-bis-bromomethyl-benzene,ccris 1775 |
| IUPAC Name | 1,4-bis(bromomethyl)benzene |
| InChI Key | RBZMSGOBSOCYHR-UHFFFAOYSA-N |
| Molecular Formula | C8H8Br2 |
Bis(2-ethylhexyl) Phthalate 98.0+%, TCI America™
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CAS: 117-81-7 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.564 MDL Number: MFCD00009493 InChI Key: BJQHLKABXJIVAM-UHFFFAOYSA-N Synonym: dehp,bis 2-ethylhexyl phthalate,di 2-ethylhexyl phthalate,diethylhexyl phthalate,di-sec-octyl phthalate,octyl phthalate,fleximel,octoil PubChem CID: 8343 ChEBI: CHEBI:17747 IUPAC Name: bis(2-ethylhexyl) benzene-1,2-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
| PubChem CID | 8343 |
|---|---|
| CAS | 117-81-7 |
| Molecular Weight (g/mol) | 390.564 |
| ChEBI | CHEBI:17747 |
| MDL Number | MFCD00009493 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC |
| Synonym | dehp,bis 2-ethylhexyl phthalate,di 2-ethylhexyl phthalate,diethylhexyl phthalate,di-sec-octyl phthalate,octyl phthalate,fleximel,octoil |
| IUPAC Name | bis(2-ethylhexyl) benzene-1,2-dicarboxylate |
| InChI Key | BJQHLKABXJIVAM-UHFFFAOYSA-N |
| Molecular Formula | C24H38O4 |
Butyl Benzoate 99.0+%, TCI America™
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CAS: 136-60-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.23 MDL Number: MFCD00009439 InChI Key: XSIFPSYPOVKYCO-UHFFFAOYSA-N Synonym: n-butyl benzoate,benzoic acid, butyl ester,anthrapole az,benzoic acid butyl ester,dai cari xbn,benzoic acid n-butyl ester,butylester kyseliny benzoove,butylbenzoate,unii-1tgz0d0o8i,butylester kyseliny benzoove czech PubChem CID: 8698 IUPAC Name: butyl benzoate SMILES: CCCCOC(=O)C1=CC=CC=C1
| PubChem CID | 8698 |
|---|---|
| CAS | 136-60-7 |
| Molecular Weight (g/mol) | 178.23 |
| MDL Number | MFCD00009439 |
| SMILES | CCCCOC(=O)C1=CC=CC=C1 |
| Synonym | n-butyl benzoate,benzoic acid, butyl ester,anthrapole az,benzoic acid butyl ester,dai cari xbn,benzoic acid n-butyl ester,butylester kyseliny benzoove,butylbenzoate,unii-1tgz0d0o8i,butylester kyseliny benzoove czech |
| IUPAC Name | butyl benzoate |
| InChI Key | XSIFPSYPOVKYCO-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |