Benzenoids
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Metoclopramide Related Compound D, Certified Reference Material, MilliporeSigma™ Supelco™
Pharmaceutical secondary standards for application in quality control. Provides pharma laboratories and manufacturers with a convenient, and cost-effective alternative to the preparation of in-house working standards.
2-Ethylbenzaldehyde, 97%
CAS: 22927-13-5 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD02261766 InChI Key: NTWBHJYRDKBGBR-UHFFFAOYSA-N Synonym: benzaldehyde, 2-ethyl,o-ethylbenzaldehyde,2-ethyl benzaldehyde,2-ethyl-benzaldehyde,ethylbenzaldehyde,2-ethyl-benzaldehyd,6-ethyl benzaldehyde,pubchem3074,acmc-20a49p PubChem CID: 123406 IUPAC Name: 2-ethylbenzaldehyde SMILES: CCC1=CC=CC=C1C=O
| PubChem CID | 123406 |
|---|---|
| CAS | 22927-13-5 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD02261766 |
| SMILES | CCC1=CC=CC=C1C=O |
| Synonym | benzaldehyde, 2-ethyl,o-ethylbenzaldehyde,2-ethyl benzaldehyde,2-ethyl-benzaldehyde,ethylbenzaldehyde,2-ethyl-benzaldehyd,6-ethyl benzaldehyde,pubchem3074,acmc-20a49p |
| IUPAC Name | 2-ethylbenzaldehyde |
| InChI Key | NTWBHJYRDKBGBR-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
2-Chloro-5-methoxyaniline, 98%
CAS: 2401-24-3 Molecular Formula: C7H8ClNO Molecular Weight (g/mol): 157.6 InChI Key: GBOUQGUQUUPGLO-UHFFFAOYSA-N Synonym: 6-chloro-m-anisidine,3-amino-4-chloroanisole,benzenamine, 2-chloro-5-methoxy,2-chloro-5-methoxy-aniline,6-chloro-m-anisidine hydrochloride,2-chloro-5-methoxy-phenylamine,2-chloro-5-methoxybenzenamine hydrochloride,6-chloro-meta-anisidine hydrochloride,2-chloro-5-methoxyanilinehydrochloride,timtec-bb sbb008038 PubChem CID: 75460 IUPAC Name: 2-chloro-5-methoxyaniline SMILES: COC1=CC(=C(C=C1)Cl)N
| PubChem CID | 75460 |
|---|---|
| CAS | 2401-24-3 |
| Molecular Weight (g/mol) | 157.6 |
| SMILES | COC1=CC(=C(C=C1)Cl)N |
| Synonym | 6-chloro-m-anisidine,3-amino-4-chloroanisole,benzenamine, 2-chloro-5-methoxy,2-chloro-5-methoxy-aniline,6-chloro-m-anisidine hydrochloride,2-chloro-5-methoxy-phenylamine,2-chloro-5-methoxybenzenamine hydrochloride,6-chloro-meta-anisidine hydrochloride,2-chloro-5-methoxyanilinehydrochloride,timtec-bb sbb008038 |
| IUPAC Name | 2-chloro-5-methoxyaniline |
| InChI Key | GBOUQGUQUUPGLO-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClNO |
4,4'-Methylenebis(N,N-dimethylaniline), 98+%
CAS: 101-61-1 Molecular Formula: C17H22N2 Molecular Weight (g/mol): 254.377 MDL Number: MFCD00008317 InChI Key: JNRLEMMIVRBKJE-UHFFFAOYSA-N Synonym: 4,4'-methylenebis n,n-dimethylaniline,tetra-base,tetrabase,michler's base,methane base,methylene base,michler's hydride,michler's methane,4,4'-bis dimethylamino diphenylmethane,reduced michler's ketone PubChem CID: 7567 ChEBI: CHEBI:34370 IUPAC Name: 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline SMILES: CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C
| PubChem CID | 7567 |
|---|---|
| CAS | 101-61-1 |
| Molecular Weight (g/mol) | 254.377 |
| ChEBI | CHEBI:34370 |
| MDL Number | MFCD00008317 |
| SMILES | CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C |
| Synonym | 4,4'-methylenebis n,n-dimethylaniline,tetra-base,tetrabase,michler's base,methane base,methylene base,michler's hydride,michler's methane,4,4'-bis dimethylamino diphenylmethane,reduced michler's ketone |
| IUPAC Name | 4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline |
| InChI Key | JNRLEMMIVRBKJE-UHFFFAOYSA-N |
| Molecular Formula | C17H22N2 |
Nordihydroguaiaretic acid, 97%
CAS: 500-38-9 Molecular Formula: C18H22O4 Molecular Weight (g/mol): 302.37 MDL Number: MFCD00002206 InChI Key: HCZKYJDFEPMADG-UHFFFAOYSA-N Synonym: nordihydroguaiaretic acid,ndga,dihydronorguaiaretic acid,norhydroguaiaretic acid,nordihydroguairaretic acid,norguaiaretic acid, dihydro,1,2-benzenediol, 4,4'-2,3-dimethyl-1,4-butanediyl bis,dinorguaiaretic acid, dihydro,4,4'-2,3-dimethyltetramethylene dipyrocatechol,2,3-bis 3,4-dihydroxyphenylmethyl butane PubChem CID: 4534 ChEBI: CHEBI:7625 IUPAC Name: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol SMILES: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O
| PubChem CID | 4534 |
|---|---|
| CAS | 500-38-9 |
| Molecular Weight (g/mol) | 302.37 |
| ChEBI | CHEBI:7625 |
| MDL Number | MFCD00002206 |
| SMILES | CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O |
| Synonym | nordihydroguaiaretic acid,ndga,dihydronorguaiaretic acid,norhydroguaiaretic acid,nordihydroguairaretic acid,norguaiaretic acid, dihydro,1,2-benzenediol, 4,4'-2,3-dimethyl-1,4-butanediyl bis,dinorguaiaretic acid, dihydro,4,4'-2,3-dimethyltetramethylene dipyrocatechol,2,3-bis 3,4-dihydroxyphenylmethyl butane |
| IUPAC Name | 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol |
| InChI Key | HCZKYJDFEPMADG-UHFFFAOYSA-N |
| Molecular Formula | C18H22O4 |
1-Bromo-2-naphthol, 97%
CAS: 573-97-7 Molecular Formula: C10H7BrO Molecular Weight (g/mol): 223.069 MDL Number: MFCD00003869 InChI Key: FQJZPYXGPYJJIH-UHFFFAOYSA-N Synonym: 1-bromo-2-naphthol,1-bromo-2-naphthalenol,wormin,2-naphthalenol, 1-bromo,disthemin,1-bromo-2-hydroxynaphthalene,1-brom-2-naphthol,unii-vke7l55pp9,1-brom-2-naphthol german,2-naphthol, 1-bromo PubChem CID: 11316 IUPAC Name: 1-bromonaphthalen-2-ol SMILES: C1=CC=C2C(=C1)C=CC(=C2Br)O
| PubChem CID | 11316 |
|---|---|
| CAS | 573-97-7 |
| Molecular Weight (g/mol) | 223.069 |
| MDL Number | MFCD00003869 |
| SMILES | C1=CC=C2C(=C1)C=CC(=C2Br)O |
| Synonym | 1-bromo-2-naphthol,1-bromo-2-naphthalenol,wormin,2-naphthalenol, 1-bromo,disthemin,1-bromo-2-hydroxynaphthalene,1-brom-2-naphthol,unii-vke7l55pp9,1-brom-2-naphthol german,2-naphthol, 1-bromo |
| IUPAC Name | 1-bromonaphthalen-2-ol |
| InChI Key | FQJZPYXGPYJJIH-UHFFFAOYSA-N |
| Molecular Formula | C10H7BrO |
3,4-Difluorophenylglyoxal hydrate, 98%, dry wt. basis
CAS: 79784-34-2 Molecular Formula: C8H4F2O2 Molecular Weight (g/mol): 170.12 MDL Number: MFCD01733155 InChI Key: VZRYIZGMQICGSF-UHFFFAOYSA-N Synonym: 3,4-difluorophenylglyoxal hydrate,2-3,4-difluorophenyl-2-oxoacetaldehyde hydrate,pubchem12210,3,4-difluorophenylglyoxal monohydrate,3,4-difluorophenylglyoxalhydrate,benzeneacetaldehyde,3,4-difluoro-a-oxo,2-3,4-difluorophenyl-2-oxoethanal, hydrate PubChem CID: 2782289 IUPAC Name: 2-(3,4-difluorophenyl)-2-oxoacetaldehyde;hydrate SMILES: FC1=CC=C(C=C1F)C(=O)C=O
| PubChem CID | 2782289 |
|---|---|
| CAS | 79784-34-2 |
| Molecular Weight (g/mol) | 170.12 |
| MDL Number | MFCD01733155 |
| SMILES | FC1=CC=C(C=C1F)C(=O)C=O |
| Synonym | 3,4-difluorophenylglyoxal hydrate,2-3,4-difluorophenyl-2-oxoacetaldehyde hydrate,pubchem12210,3,4-difluorophenylglyoxal monohydrate,3,4-difluorophenylglyoxalhydrate,benzeneacetaldehyde,3,4-difluoro-a-oxo,2-3,4-difluorophenyl-2-oxoethanal, hydrate |
| IUPAC Name | 2-(3,4-difluorophenyl)-2-oxoacetaldehyde;hydrate |
| InChI Key | VZRYIZGMQICGSF-UHFFFAOYSA-N |
| Molecular Formula | C8H4F2O2 |
2,4-Dichlorobenzyl chloride, 99%
CAS: 94-99-5 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.47 MDL Number: MFCD00000895 InChI Key: IRSVDHPYXFLLDS-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzyl chloride,2,4-dichloro-1-chloromethyl benzene,2,4-dichlorobenzylchloride,alpha,2,4-trichlorotoluene,benzene, 2,4-dichloro-1-chloromethyl,2,4-dichloro-1-chloromethyl-benzene,alpha2,4-trichlorotoluene,unii-85e96p2s3s,2,4-dcbc,toluene, .alpha.2,4-trichloro PubChem CID: 7212 IUPAC Name: 2,4-dichloro-1-(chloromethyl)benzene SMILES: ClCC1=CC=C(Cl)C=C1Cl
| PubChem CID | 7212 |
|---|---|
| CAS | 94-99-5 |
| Molecular Weight (g/mol) | 195.47 |
| MDL Number | MFCD00000895 |
| SMILES | ClCC1=CC=C(Cl)C=C1Cl |
| Synonym | 2,4-dichlorobenzyl chloride,2,4-dichloro-1-chloromethyl benzene,2,4-dichlorobenzylchloride,alpha,2,4-trichlorotoluene,benzene, 2,4-dichloro-1-chloromethyl,2,4-dichloro-1-chloromethyl-benzene,alpha2,4-trichlorotoluene,unii-85e96p2s3s,2,4-dcbc,toluene, .alpha.2,4-trichloro |
| IUPAC Name | 2,4-dichloro-1-(chloromethyl)benzene |
| InChI Key | IRSVDHPYXFLLDS-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl3 |
2-(morpholinosulfonyl)benzoic acid, 97%, Thermo Scientific™
CAS: 87223-34-5 Molecular Formula: C11H13NO5S Molecular Weight (g/mol): 271.287 MDL Number: MFCD09813541 InChI Key: YTQKWJNSSYODEV-UHFFFAOYSA-N Synonym: 2-morpholinosulfonyl benzoic acid,2-morpholine-4-sulfonyl benzoic acid,2-morpholin-4-ylsulfonyl benzoic acid,benzoic acid,2-4-morpholinylsulfonyl,2-morpholin-4-ylsulphonyl benzoic acid PubChem CID: 13140207 IUPAC Name: 2-morpholin-4-ylsulfonylbenzoic acid SMILES: C1COCCN1S(=O)(=O)C2=CC=CC=C2C(=O)O
| PubChem CID | 13140207 |
|---|---|
| CAS | 87223-34-5 |
| Molecular Weight (g/mol) | 271.287 |
| MDL Number | MFCD09813541 |
| SMILES | C1COCCN1S(=O)(=O)C2=CC=CC=C2C(=O)O |
| Synonym | 2-morpholinosulfonyl benzoic acid,2-morpholine-4-sulfonyl benzoic acid,2-morpholin-4-ylsulfonyl benzoic acid,benzoic acid,2-4-morpholinylsulfonyl,2-morpholin-4-ylsulphonyl benzoic acid |
| IUPAC Name | 2-morpholin-4-ylsulfonylbenzoic acid |
| InChI Key | YTQKWJNSSYODEV-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO5S |
N-Fluorobenzenesulfonimide, 97%
CAS: 133745-75-2 Molecular Formula: C12H10FNO4S2 Molecular Weight (g/mol): 315.35 InChI Key: RLKHFSNWQCZBDC-UHFFFAOYSA-N Synonym: n-fluorobenzenesulfonimide,nfsi,n-fluoro-n-phenylsulfonyl benzenesulfonamide,n-fluorodibenzenesulfonimide,n-fluorobenzensulfonimide,n-fluorobenzenesulphonimide,accufluor nfsi,n-fluorodi benzenesulfonyl amine,bis phenylsulfonyl fluoroamine,n-fluorobis phenylsulfonyl amine PubChem CID: 588007 IUPAC Name: N-(benzenesulfonyl)-N-fluorobenzenesulfonamide SMILES: C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2
| PubChem CID | 588007 |
|---|---|
| CAS | 133745-75-2 |
| Molecular Weight (g/mol) | 315.35 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2 |
| Synonym | n-fluorobenzenesulfonimide,nfsi,n-fluoro-n-phenylsulfonyl benzenesulfonamide,n-fluorodibenzenesulfonimide,n-fluorobenzensulfonimide,n-fluorobenzenesulphonimide,accufluor nfsi,n-fluorodi benzenesulfonyl amine,bis phenylsulfonyl fluoroamine,n-fluorobis phenylsulfonyl amine |
| IUPAC Name | N-(benzenesulfonyl)-N-fluorobenzenesulfonamide |
| InChI Key | RLKHFSNWQCZBDC-UHFFFAOYSA-N |
| Molecular Formula | C12H10FNO4S2 |
1-(Phenylsulfonyl)-1H-indol-2-ylboronic acid, 97%, Thermo Scientific™
CAS: 342404-46-0 Molecular Formula: C14H12BNO4S Molecular Weight (g/mol): 301.12 MDL Number: MFCD03086094 InChI Key: HXWLCYMHOULBJZ-UHFFFAOYSA-N Synonym: 1-phenylsulfonyl-2-indoleboronic acid,1-phenylsulfonyl-1h-indol-2-yl boronic acid,1-phenylsulfonyl-1h-indol-2-ylboronic acid,1-phenylsulfonyl-2-indolylboronic acid,1-phenylsulfonyl indole-2-boronic acid,1-benzenesulfonyl indol-2-ylboronic acid,boronic acid,b-1-phenylsulfonyl-1h-indol-2-yl,1-benzenesulfonyl indol-2-yl boronic acid,acmc-209i5v,1-phenylsulfonylindole-2-boronic acid PubChem CID: 2776228 IUPAC Name: [1-(benzenesulfonyl)indol-2-yl]boronic acid SMILES: OB(O)C1=CC2=CC=CC=C2N1S(=O)(=O)C1=CC=CC=C1
| PubChem CID | 2776228 |
|---|---|
| CAS | 342404-46-0 |
| Molecular Weight (g/mol) | 301.12 |
| MDL Number | MFCD03086094 |
| SMILES | OB(O)C1=CC2=CC=CC=C2N1S(=O)(=O)C1=CC=CC=C1 |
| Synonym | 1-phenylsulfonyl-2-indoleboronic acid,1-phenylsulfonyl-1h-indol-2-yl boronic acid,1-phenylsulfonyl-1h-indol-2-ylboronic acid,1-phenylsulfonyl-2-indolylboronic acid,1-phenylsulfonyl indole-2-boronic acid,1-benzenesulfonyl indol-2-ylboronic acid,boronic acid,b-1-phenylsulfonyl-1h-indol-2-yl,1-benzenesulfonyl indol-2-yl boronic acid,acmc-209i5v,1-phenylsulfonylindole-2-boronic acid |
| IUPAC Name | [1-(benzenesulfonyl)indol-2-yl]boronic acid |
| InChI Key | HXWLCYMHOULBJZ-UHFFFAOYSA-N |
| Molecular Formula | C14H12BNO4S |
methyl 2-(morpholinosulfonyl)benzoate, 95%, Thermo Scientific™
CAS: 502182-56-1 Molecular Formula: C12H15NO5S Molecular Weight (g/mol): 285.31 MDL Number: MFCD09879985 InChI Key: FJLVVZZMDOHEEM-UHFFFAOYSA-N Synonym: methyl 2-morpholinosulfonyl benzoate,methyl 2-morpholine-4-sulfonyl benzoate,methyl 2-morpholin-4-yl sulphonyl benzoate PubChem CID: 341073 IUPAC Name: methyl 2-morpholin-4-ylsulfonylbenzoate SMILES: COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCOCC1
| PubChem CID | 341073 |
|---|---|
| CAS | 502182-56-1 |
| Molecular Weight (g/mol) | 285.31 |
| MDL Number | MFCD09879985 |
| SMILES | COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCOCC1 |
| Synonym | methyl 2-morpholinosulfonyl benzoate,methyl 2-morpholine-4-sulfonyl benzoate,methyl 2-morpholin-4-yl sulphonyl benzoate |
| IUPAC Name | methyl 2-morpholin-4-ylsulfonylbenzoate |
| InChI Key | FJLVVZZMDOHEEM-UHFFFAOYSA-N |
| Molecular Formula | C12H15NO5S |
1-(p-Toluenesulfonyl)indole, 95%
CAS: 31271-90-6 Molecular Formula: C15H13NO2S Molecular Weight (g/mol): 271.33 MDL Number: MFCD01165032 InChI Key: JNRRPYFLDADLJW-UHFFFAOYSA-N Synonym: 1-tosyl-1h-indole,n-tosylindole,1-p-toluenesulfonyl indole,1-4-methylbenzenesulfonyl indole,n-p-toluenesulfonyl indole,1-4-methylphenyl sulfonyl-1h-indole,1-tosylindole,1-p-tolylsulfonyl indole,1-p-toluenesulphonyl indole,4-methylphenyl sulfonyl indole PubChem CID: 10956616 SMILES: CC1=CC=C(C=C1)S(=O)(=O)N1C=CC2=CC=CC=C12
| PubChem CID | 10956616 |
|---|---|
| CAS | 31271-90-6 |
| Molecular Weight (g/mol) | 271.33 |
| MDL Number | MFCD01165032 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N1C=CC2=CC=CC=C12 |
| Synonym | 1-tosyl-1h-indole,n-tosylindole,1-p-toluenesulfonyl indole,1-4-methylbenzenesulfonyl indole,n-p-toluenesulfonyl indole,1-4-methylphenyl sulfonyl-1h-indole,1-tosylindole,1-p-tolylsulfonyl indole,1-p-toluenesulphonyl indole,4-methylphenyl sulfonyl indole |
| InChI Key | JNRRPYFLDADLJW-UHFFFAOYSA-N |
| Molecular Formula | C15H13NO2S |
Succinyl sulfathiazole, 99.48%, MP Biomedicals™
CAS: 116-43-8 Molecular Formula: C13H13N3O5S2 Molecular Weight (g/mol): 355.383 MDL Number: MFCD00022437 InChI Key: SKVLYVHULOWXTD-UHFFFAOYSA-N Synonym: succinylsulfathiazole,cremosuxidine,sulfasuccidine,sulfasuccinil,sulfasuxidine,colistatin,sulfadigesin,sulfasuccithiazole,sulfasuccidin,sulfenterone PubChem CID: 5315 ChEBI: CHEBI:9309 IUPAC Name: 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid SMILES: C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2
| PubChem CID | 5315 |
|---|---|
| CAS | 116-43-8 |
| Molecular Weight (g/mol) | 355.383 |
| ChEBI | CHEBI:9309 |
| MDL Number | MFCD00022437 |
| SMILES | C1=CC(=CC=C1NC(=O)CCC(=O)O)S(=O)(=O)NC2=NC=CS2 |
| Synonym | succinylsulfathiazole,cremosuxidine,sulfasuccidine,sulfasuccinil,sulfasuxidine,colistatin,sulfadigesin,sulfasuccithiazole,sulfasuccidin,sulfenterone |
| IUPAC Name | 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid |
| InChI Key | SKVLYVHULOWXTD-UHFFFAOYSA-N |
| Molecular Formula | C13H13N3O5S2 |
N-Isopropyl-4-methylbenzenesulfonamide, 97%
CAS: 21230-07-9 Molecular Formula: C10H15NO2S Molecular Weight (g/mol): 213.295 MDL Number: MFCD00543042 InChI Key: NXUHAAIJVABUMJ-UHFFFAOYSA-N Synonym: n-isopropyl-4-methylbenzenesulfonamide,4-methyl-n-propan-2-yl benzene-1-sulfonamide,n-isopropyl-p-toluenesulfonamide,4-methyl-n-propan-2-yl benzenesulfonamide,methylethyl 4-methylphenyl sulfonyl amine PubChem CID: 4329528 IUPAC Name: 4-methyl-N-propan-2-ylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(C)C
| PubChem CID | 4329528 |
|---|---|
| CAS | 21230-07-9 |
| Molecular Weight (g/mol) | 213.295 |
| MDL Number | MFCD00543042 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(C)C |
| Synonym | n-isopropyl-4-methylbenzenesulfonamide,4-methyl-n-propan-2-yl benzene-1-sulfonamide,n-isopropyl-p-toluenesulfonamide,4-methyl-n-propan-2-yl benzenesulfonamide,methylethyl 4-methylphenyl sulfonyl amine |
| IUPAC Name | 4-methyl-N-propan-2-ylbenzenesulfonamide |
| InChI Key | NXUHAAIJVABUMJ-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO2S |