Benzene and substituted derivatives
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o-Xylylene dichloride, 98%
CAS: 612-12-4 Molecular Formula: C8H8Cl2 Molecular Weight (g/mol): 175.05 MDL Number: MFCD00000903 InChI Key: FMGGHNGKHRCJLL-UHFFFAOYSA-N Synonym: 1,2-bis chloromethyl benzene,o-xylylene dichloride,alpha,alpha'-dichloro-o-xylene,o-bis chloromethyl benzene,benzene, 1,2-bis chloromethyl,ccris 1773,o-xylene, alpha,alpha'-dichloro,benzene, 1,2-dichloromethyl,.alpha.,.alpha.'-dichloro-o-xylene,o-xylylenchlorid PubChem CID: 11919 IUPAC Name: 1,2-bis(chloromethyl)benzene SMILES: ClCC1=CC=CC=C1CCl
| PubChem CID | 11919 |
|---|---|
| CAS | 612-12-4 |
| Molecular Weight (g/mol) | 175.05 |
| MDL Number | MFCD00000903 |
| SMILES | ClCC1=CC=CC=C1CCl |
| Synonym | 1,2-bis chloromethyl benzene,o-xylylene dichloride,alpha,alpha'-dichloro-o-xylene,o-bis chloromethyl benzene,benzene, 1,2-bis chloromethyl,ccris 1773,o-xylene, alpha,alpha'-dichloro,benzene, 1,2-dichloromethyl,.alpha.,.alpha.'-dichloro-o-xylene,o-xylylenchlorid |
| IUPAC Name | 1,2-bis(chloromethyl)benzene |
| InChI Key | FMGGHNGKHRCJLL-UHFFFAOYSA-N |
| Molecular Formula | C8H8Cl2 |
N-α-Benzoyl-L-Argininamide Hydrochloride, MP Biomedicals™
CAS: 4299-03-0 Molecular Formula: C13H20ClN5O2 Molecular Weight (g/mol): 313.786 InChI Key: PYZACNCNNFUUDO-PPHPATTJSA-N Synonym: s-n-1-amino-5-guanidino-1-oxopentan-2-yl benzamide hydrochloride,n-alpha-benzoyl-l-argininamide hydrochloride,2s-5-carbamimidamido-2-phenylformamido pentanamide hydrochloride,bz-arg-nh hcl,bz-arg-nh2 hcl,benzoyl-l-arginine amide hydrochloride,n-benzoyl-l-arginine amide hydrochloride,benzoyl-arginine amide monohydrochloride monihydrate,nalpha-benzoyl-l-argininamidehydrochloridemonohydrate,2s-5-diaminomethylidene amino-2-phenylformamido pentanamide hydrochloride PubChem CID: 22871352 IUPAC Name: N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide;hydrochloride SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N.Cl
| PubChem CID | 22871352 |
|---|---|
| CAS | 4299-03-0 |
| Molecular Weight (g/mol) | 313.786 |
| SMILES | C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N.Cl |
| Synonym | s-n-1-amino-5-guanidino-1-oxopentan-2-yl benzamide hydrochloride,n-alpha-benzoyl-l-argininamide hydrochloride,2s-5-carbamimidamido-2-phenylformamido pentanamide hydrochloride,bz-arg-nh hcl,bz-arg-nh2 hcl,benzoyl-l-arginine amide hydrochloride,n-benzoyl-l-arginine amide hydrochloride,benzoyl-arginine amide monohydrochloride monihydrate,nalpha-benzoyl-l-argininamidehydrochloridemonohydrate,2s-5-diaminomethylidene amino-2-phenylformamido pentanamide hydrochloride |
| IUPAC Name | N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide;hydrochloride |
| InChI Key | PYZACNCNNFUUDO-PPHPATTJSA-N |
| Molecular Formula | C13H20ClN5O2 |
(R)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride, 98+%
CAS: 39637-99-5 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.62 MDL Number: MFCD00044400 InChI Key: PAORVUMOXXAMPL-VIFPVBQESA-N Synonym: unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride PubChem CID: 3080792 IUPAC Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F
| PubChem CID | 3080792 |
|---|---|
| CAS | 39637-99-5 |
| Molecular Weight (g/mol) | 252.62 |
| MDL Number | MFCD00044400 |
| SMILES | CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F |
| Synonym | unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride |
| IUPAC Name | (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride |
| InChI Key | PAORVUMOXXAMPL-VIFPVBQESA-N |
| Molecular Formula | C10H8ClF3O2 |
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 |
N-Fluorobenzenesulfonimide, 97%
CAS: 133745-75-2 Molecular Formula: C12H10FNO4S2 Molecular Weight (g/mol): 315.333 MDL Number: MFCD00144885 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) | 315.333 |
| MDL Number | MFCD00144885 |
| 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 |
4-Fluorophenylglyoxal hydrate, 98%, dry wt. basis
CAS: 403-32-7 Molecular Formula: C8H5FO2 Molecular Weight (g/mol): 152.12 MDL Number: MFCD01733156 InChI Key: IPWSCROFORAGJW-UHFFFAOYSA-N Synonym: 2-4-fluorophenyl-2-oxoacetaldehyde,4-fluorophenylglyoxal,benzeneacetaldehyde, 4-fluoro-alpha-oxo,4-fluoro-phenyl-oxo-acetaldehyde,4-fluoro-alpha-oxobenzeneacetaldehyde,4-fluorophenyl oxo acetaldehyde,p-fluorophenylglyoxal,p-fluorophenyl glyoxal,4-fluorophenyl glyoxal,1-4-fluorophenyl glyoxal PubChem CID: 101249 IUPAC Name: 2-(4-fluorophenyl)-2-oxoacetaldehyde SMILES: FC1=CC=C(C=C1)C(=O)C=O
| PubChem CID | 101249 |
|---|---|
| CAS | 403-32-7 |
| Molecular Weight (g/mol) | 152.12 |
| MDL Number | MFCD01733156 |
| SMILES | FC1=CC=C(C=C1)C(=O)C=O |
| Synonym | 2-4-fluorophenyl-2-oxoacetaldehyde,4-fluorophenylglyoxal,benzeneacetaldehyde, 4-fluoro-alpha-oxo,4-fluoro-phenyl-oxo-acetaldehyde,4-fluoro-alpha-oxobenzeneacetaldehyde,4-fluorophenyl oxo acetaldehyde,p-fluorophenylglyoxal,p-fluorophenyl glyoxal,4-fluorophenyl glyoxal,1-4-fluorophenyl glyoxal |
| IUPAC Name | 2-(4-fluorophenyl)-2-oxoacetaldehyde |
| InChI Key | IPWSCROFORAGJW-UHFFFAOYSA-N |
| Molecular Formula | C8H5FO2 |
4-(Trifluoromethyl)phenylglyoxal hydrate, 98%, dry wt. basis
CAS: 1736-56-7 Molecular Formula: C9H5F3O2 Molecular Weight (g/mol): 202.132 MDL Number: MFCD05664098 InChI Key: BGOMXTCPIUNFKR-UHFFFAOYSA-N Synonym: 2-oxo-2-4-trifluoromethyl phenyl acetaldehyde,2-oxo-2-4-trifluoromethyl phenyl ethanal,2-oxidanylidene-2-4-trifluoromethyl phenyl ethanal,4-trifluoromethylphenyl oxo acetaldehyde,oxo 4-trifluoromethyl phenyl acetaldehyde,1-4-trifluoromethyl phenyl-1,2-ethanedione PubChem CID: 2783286 IUPAC Name: 2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde SMILES: C1=CC(=CC=C1C(=O)C=O)C(F)(F)F
| PubChem CID | 2783286 |
|---|---|
| CAS | 1736-56-7 |
| Molecular Weight (g/mol) | 202.132 |
| MDL Number | MFCD05664098 |
| SMILES | C1=CC(=CC=C1C(=O)C=O)C(F)(F)F |
| Synonym | 2-oxo-2-4-trifluoromethyl phenyl acetaldehyde,2-oxo-2-4-trifluoromethyl phenyl ethanal,2-oxidanylidene-2-4-trifluoromethyl phenyl ethanal,4-trifluoromethylphenyl oxo acetaldehyde,oxo 4-trifluoromethyl phenyl acetaldehyde,1-4-trifluoromethyl phenyl-1,2-ethanedione |
| IUPAC Name | 2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde |
| InChI Key | BGOMXTCPIUNFKR-UHFFFAOYSA-N |
| Molecular Formula | C9H5F3O2 |
3-(Bromomethyl)phenoxyacetic acid, 97%
CAS: 136645-25-5 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.072 MDL Number: MFCD02093985 InChI Key: MSTODKGDFXWAIO-UHFFFAOYSA-N Synonym: 3-bromomethyl phenoxyacetic acid,2-3-bromomethyl phenoxy acetic acid,acmc-1c8fy PubChem CID: 7010327 IUPAC Name: 2-[3-(bromomethyl)phenoxy]acetic acid SMILES: C1=CC(=CC(=C1)OCC(=O)O)CBr
| PubChem CID | 7010327 |
|---|---|
| CAS | 136645-25-5 |
| Molecular Weight (g/mol) | 245.072 |
| MDL Number | MFCD02093985 |
| SMILES | C1=CC(=CC(=C1)OCC(=O)O)CBr |
| Synonym | 3-bromomethyl phenoxyacetic acid,2-3-bromomethyl phenoxy acetic acid,acmc-1c8fy |
| IUPAC Name | 2-[3-(bromomethyl)phenoxy]acetic acid |
| InChI Key | MSTODKGDFXWAIO-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO3 |
2,4-Dinitrophenylhydrazine, Spectrum™ Chemical
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CAS: 119-26-6 Molecular Formula: C6H6N4O4 Molecular Weight (g/mol): 198.14 InChI Key: HORQAOAYAYGIBM-UHFFFAOYSA-N IUPAC Name: (2,4-dinitrophenyl)hydrazine SMILES: NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O
| CAS | 119-26-6 |
|---|---|
| Molecular Weight (g/mol) | 198.14 |
| SMILES | NNC1=CC=C(C=C1[N+]([O-])=O)[N+]([O-])=O |
| IUPAC Name | (2,4-dinitrophenyl)hydrazine |
| InChI Key | HORQAOAYAYGIBM-UHFFFAOYSA-N |
| Molecular Formula | C6H6N4O4 |
2-(4-Chlorophenyl)malondialdehyde, 95%, Thermo Scientific™
CAS: 205676-17-1 Molecular Formula: C9H7ClO2 Molecular Weight (g/mol): 182.60 MDL Number: MFCD00216505 InChI Key: BPCQPZCKKNFWCF-VMPITWQZSA-N Synonym: 2-4-chlorophenyl malonaldehyde,2-4-chlorophenyl propanedial,2-4-chlorophenyl malondialdehyde,4-chlorophenyl propane-1,3-dial,2-4-chlorophenyl malon-dialdehyde,2-4-chlorophenyl propane-1,3-dione PubChem CID: 3584386 IUPAC Name: 2-(4-chlorophenyl)propanedial SMILES: O\C=C(/C=O)C1=CC=C(Cl)C=C1
| PubChem CID | 3584386 |
|---|---|
| CAS | 205676-17-1 |
| Molecular Weight (g/mol) | 182.60 |
| MDL Number | MFCD00216505 |
| SMILES | O\C=C(/C=O)C1=CC=C(Cl)C=C1 |
| Synonym | 2-4-chlorophenyl malonaldehyde,2-4-chlorophenyl propanedial,2-4-chlorophenyl malondialdehyde,4-chlorophenyl propane-1,3-dial,2-4-chlorophenyl malon-dialdehyde,2-4-chlorophenyl propane-1,3-dione |
| IUPAC Name | 2-(4-chlorophenyl)propanedial |
| InChI Key | BPCQPZCKKNFWCF-VMPITWQZSA-N |
| Molecular Formula | C9H7ClO2 |
Miconazole, free base, MP Biomedicals™
CAS: 22916-47-8 Molecular Formula: C18H14Cl4N2O Molecular Weight (g/mol): 416.12 MDL Number: MFCD00216019 InChI Key: BYBLEWFAAKGYCD-UHFFFAOYNA-N Synonym: miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm PubChem CID: 4189 ChEBI: CHEBI:82892 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
| PubChem CID | 4189 |
|---|---|
| CAS | 22916-47-8 |
| Molecular Weight (g/mol) | 416.12 |
| ChEBI | CHEBI:82892 |
| MDL Number | MFCD00216019 |
| SMILES | ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1 |
| Synonym | miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm |
| IUPAC Name | 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole |
| InChI Key | BYBLEWFAAKGYCD-UHFFFAOYNA-N |
| Molecular Formula | C18H14Cl4N2O |
Albuterol Sulfate, USP, 98.5-101%, Spectrum™ Chemical
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CAS: 51022-70-9 Molecular Formula: C26H44N2O10S Molecular Weight (g/mol): 576.70 InChI Key: BNPSSFBOAGDEEL-UHFFFAOYNA-N IUPAC Name: bis(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol); sulfuric acid SMILES: OS(O)(=O)=O.CC(C)(C)NCC(O)C1=CC=C(O)C(CO)=C1.CC(C)(C)NCC(O)C1=CC=C(O)C(CO)=C1
| CAS | 51022-70-9 |
|---|---|
| Molecular Weight (g/mol) | 576.70 |
| SMILES | OS(O)(=O)=O.CC(C)(C)NCC(O)C1=CC=C(O)C(CO)=C1.CC(C)(C)NCC(O)C1=CC=C(O)C(CO)=C1 |
| IUPAC Name | bis(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol); sulfuric acid |
| InChI Key | BNPSSFBOAGDEEL-UHFFFAOYNA-N |
| Molecular Formula | C26H44N2O10S |
Phenylacetic acid hydrazide, 98%, Thermo Scientific Chemicals
CAS: 937-39-3 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00007612 InChI Key: FPTCVTJCJMVIDV-UHFFFAOYSA-N Synonym: phenylacetic acid hydrazide,benzeneacetic acid, hydrazide,phenylacetic hydrazide,phenylacetylhydrazine,phenylacetyl hydrazide,phenacetic acid hydrazide,2-phenylacetyl hydrazine,phenylacetohydrazide,phenylacethydrazide,phenyl-acetic acid hydrazide PubChem CID: 70301 IUPAC Name: 2-phenylacetohydrazide SMILES: C1=CC=C(C=C1)CC(=O)NN
| PubChem CID | 70301 |
|---|---|
| CAS | 937-39-3 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00007612 |
| SMILES | C1=CC=C(C=C1)CC(=O)NN |
| Synonym | phenylacetic acid hydrazide,benzeneacetic acid, hydrazide,phenylacetic hydrazide,phenylacetylhydrazine,phenylacetyl hydrazide,phenacetic acid hydrazide,2-phenylacetyl hydrazine,phenylacetohydrazide,phenylacethydrazide,phenyl-acetic acid hydrazide |
| IUPAC Name | 2-phenylacetohydrazide |
| InChI Key | FPTCVTJCJMVIDV-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
Sulfanilic Acid, Anhydrous, ACS, 98-102%, Spectrum™ Chemical
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CAS: 121-57-3 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.19 InChI Key: HVBSAKJJOYLTQU-UHFFFAOYSA-N IUPAC Name: 4-aminobenzene-1-sulfonic acid SMILES: NC1=CC=C(C=C1)S(O)(=O)=O
| CAS | 121-57-3 |
|---|---|
| Molecular Weight (g/mol) | 173.19 |
| SMILES | NC1=CC=C(C=C1)S(O)(=O)=O |
| IUPAC Name | 4-aminobenzene-1-sulfonic acid |
| InChI Key | HVBSAKJJOYLTQU-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3S |
2-Hydroxybenzyl alcohol, 99%
CAS: 90-01-7 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00004617 InChI Key: CQRYARSYNCAZFO-UHFFFAOYSA-N Synonym: salicyl alcohol,2-hydroxybenzyl alcohol,saligenin,2-hydroxymethyl phenol,2-methylolphenol,o-hydroxybenzyl alcohol,saligenol,benzenemethanol, 2-hydroxy,diathesin,o-methylolphenol PubChem CID: 5146 ChEBI: CHEBI:16464 IUPAC Name: 2-(hydroxymethyl)phenol SMILES: OCC1=CC=CC=C1O
| PubChem CID | 5146 |
|---|---|
| CAS | 90-01-7 |
| Molecular Weight (g/mol) | 124.14 |
| ChEBI | CHEBI:16464 |
| MDL Number | MFCD00004617 |
| SMILES | OCC1=CC=CC=C1O |
| Synonym | salicyl alcohol,2-hydroxybenzyl alcohol,saligenin,2-hydroxymethyl phenol,2-methylolphenol,o-hydroxybenzyl alcohol,saligenol,benzenemethanol, 2-hydroxy,diathesin,o-methylolphenol |
| IUPAC Name | 2-(hydroxymethyl)phenol |
| InChI Key | CQRYARSYNCAZFO-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |