Benzene and substituted derivatives
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(3-Thien-3-ylphenyl)methylamine, 97%, Thermo Scientific™
CAS: 138139-99-8 Molecular Formula: C11H11NS Molecular Weight (g/mol): 189.276 MDL Number: MFCD08690276 InChI Key: GBUXQFDNGWGBJH-UHFFFAOYSA-N Synonym: 3-thien-3-ylphenyl methylamine,3-thiophen-3-yl phenyl methanamine,1-3-thiophen-3-yl phenyl methanamine,3-thiophen-3-yl-benzylamine,3-3-thienyl phenyl methylamine,3-thiophen-3-ylphenyl methylamine PubChem CID: 19916941 IUPAC Name: (3-thiophen-3-ylphenyl)methanamine SMILES: C1=CC(=CC(=C1)CN)C2=CSC=C2
| PubChem CID | 19916941 |
|---|---|
| CAS | 138139-99-8 |
| Molecular Weight (g/mol) | 189.276 |
| MDL Number | MFCD08690276 |
| SMILES | C1=CC(=CC(=C1)CN)C2=CSC=C2 |
| Synonym | 3-thien-3-ylphenyl methylamine,3-thiophen-3-yl phenyl methanamine,1-3-thiophen-3-yl phenyl methanamine,3-thiophen-3-yl-benzylamine,3-3-thienyl phenyl methylamine,3-thiophen-3-ylphenyl methylamine |
| IUPAC Name | (3-thiophen-3-ylphenyl)methanamine |
| InChI Key | GBUXQFDNGWGBJH-UHFFFAOYSA-N |
| Molecular Formula | C11H11NS |
Bromhexine hydrochloride, 98+%
CAS: 611-75-6 Molecular Formula: C14H21Br2ClN2 Molecular Weight (g/mol): 412.59 MDL Number: MFCD00056626 InChI Key: SXIVGYTWSVJOLM-UHFFFAOYNA-N Synonym: bromhexine hydrochloride,bromhexine hcl,auxit,bisolvon,broncokin,viscolyt,bromohexine hydrochloride,bromhexine chloride,quentan,unii-yc2zom3z8v PubChem CID: 5702220 ChEBI: CHEBI:31303 IUPAC Name: hydrogen 2-(1-amino-1-cyclohexylethyl)-4,6-dibromoaniline chloride SMILES: [H+].[Cl-].CC(N)(C1CCCCC1)C1=CC(Br)=CC(Br)=C1N
| PubChem CID | 5702220 |
|---|---|
| CAS | 611-75-6 |
| Molecular Weight (g/mol) | 412.59 |
| ChEBI | CHEBI:31303 |
| MDL Number | MFCD00056626 |
| SMILES | [H+].[Cl-].CC(N)(C1CCCCC1)C1=CC(Br)=CC(Br)=C1N |
| Synonym | bromhexine hydrochloride,bromhexine hcl,auxit,bisolvon,broncokin,viscolyt,bromohexine hydrochloride,bromhexine chloride,quentan,unii-yc2zom3z8v |
| IUPAC Name | hydrogen 2-(1-amino-1-cyclohexylethyl)-4,6-dibromoaniline chloride |
| InChI Key | SXIVGYTWSVJOLM-UHFFFAOYNA-N |
| Molecular Formula | C14H21Br2ClN2 |
LiChropur™ Benzylamine, For GC Derivatization, 99.0%, MilliporeSigma™ Supelco™
CAS: 100-46-9 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 MDL Number: MFCD00008106 InChI Key: WGQKYBSKWIADBV-UHFFFAOYSA-N Synonym: alpha-Aminotoluene IUPAC Name: 1-phenylmethanamine SMILES: NCC1=CC=CC=C1
| CAS | 100-46-9 |
|---|---|
| Molecular Weight (g/mol) | 107.16 |
| MDL Number | MFCD00008106 |
| SMILES | NCC1=CC=CC=C1 |
| Synonym | alpha-Aminotoluene |
| IUPAC Name | 1-phenylmethanamine |
| InChI Key | WGQKYBSKWIADBV-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
3,4-Dimethylbenzophenone, 99%
CAS: 2571-39-3 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.28 MDL Number: MFCD00008525 InChI Key: JENOLWCGNVWTJN-UHFFFAOYSA-N Synonym: 3,4-dimethylbenzophenone,3,4-dimethylphenyl phenyl methanone,methanone, 3,4-dimethylphenyl phenyl,3,4-dimethylphenyl-phenylmethanone,3,4-dimethylphenyl phenyl ketone,acmc-1cbaf,3,4-dimethyl-benzophenone,ksc490c7t,benzophenone, 3,4-dimethyl PubChem CID: 75730 IUPAC Name: (3,4-dimethylphenyl)-phenylmethanone SMILES: CC1=CC=C(C=C1C)C(=O)C1=CC=CC=C1
| PubChem CID | 75730 |
|---|---|
| CAS | 2571-39-3 |
| Molecular Weight (g/mol) | 210.28 |
| MDL Number | MFCD00008525 |
| SMILES | CC1=CC=C(C=C1C)C(=O)C1=CC=CC=C1 |
| Synonym | 3,4-dimethylbenzophenone,3,4-dimethylphenyl phenyl methanone,methanone, 3,4-dimethylphenyl phenyl,3,4-dimethylphenyl-phenylmethanone,3,4-dimethylphenyl phenyl ketone,acmc-1cbaf,3,4-dimethyl-benzophenone,ksc490c7t,benzophenone, 3,4-dimethyl |
| IUPAC Name | (3,4-dimethylphenyl)-phenylmethanone |
| InChI Key | JENOLWCGNVWTJN-UHFFFAOYSA-N |
| Molecular Formula | C15H14O |
2-Bromo-1-(4-phenoxyphenyl)ethanone 95+%, Thermo Scientific™
CAS: 28179-33-1 Molecular Formula: C14H11BrO2 Molecular Weight (g/mol): 291.14 MDL Number: MFCD01419855 InChI Key: RAXTYMXDSNWNJS-UHFFFAOYSA-N Synonym: 2-bromo-1-4-phenoxyphenyl ethanone,2-bromo-1-4-phenoxyphenyl ethan-1-one,ethanone,2-bromo-1-4-phenoxyphenyl,4-phenoxyphenacyl bromide,2-bromo-4'-phenoxyacetophenone,4'-phenoxy-2-bromoacetophenone,alpha-bromo-4'-phenoxyacetophenone,ethanone, 2-bromo-1-4-phenoxyphenyl PubChem CID: 14797675 IUPAC Name: 2-bromo-1-(4-phenoxyphenyl)ethanone SMILES: BrCC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
| PubChem CID | 14797675 |
|---|---|
| CAS | 28179-33-1 |
| Molecular Weight (g/mol) | 291.14 |
| MDL Number | MFCD01419855 |
| SMILES | BrCC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1 |
| Synonym | 2-bromo-1-4-phenoxyphenyl ethanone,2-bromo-1-4-phenoxyphenyl ethan-1-one,ethanone,2-bromo-1-4-phenoxyphenyl,4-phenoxyphenacyl bromide,2-bromo-4'-phenoxyacetophenone,4'-phenoxy-2-bromoacetophenone,alpha-bromo-4'-phenoxyacetophenone,ethanone, 2-bromo-1-4-phenoxyphenyl |
| IUPAC Name | 2-bromo-1-(4-phenoxyphenyl)ethanone |
| InChI Key | RAXTYMXDSNWNJS-UHFFFAOYSA-N |
| Molecular Formula | C14H11BrO2 |
1-(2-Phenoxyphenyl)ethanone, 97%, Thermo Scientific™
CAS: 26388-13-6 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD08271961 InChI Key: KPBCVVSDGJBODL-UHFFFAOYSA-N Synonym: 1-2-phenoxyphenyl ethanone,2-acetyldiphenyl ether,1-acetyl-2-phenoxybenzene,ethanone, 1-2-phenoxyphenyl PubChem CID: 10703750 IUPAC Name: 1-(2-phenoxyphenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1OC1=CC=CC=C1
| PubChem CID | 10703750 |
|---|---|
| CAS | 26388-13-6 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD08271961 |
| SMILES | CC(=O)C1=CC=CC=C1OC1=CC=CC=C1 |
| Synonym | 1-2-phenoxyphenyl ethanone,2-acetyldiphenyl ether,1-acetyl-2-phenoxybenzene,ethanone, 1-2-phenoxyphenyl |
| IUPAC Name | 1-(2-phenoxyphenyl)ethanone |
| InChI Key | KPBCVVSDGJBODL-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
4-Phenoxybenzyl alcohol, 97%
CAS: 2215-78-3 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.24 MDL Number: MFCD01463970 InChI Key: FEOMFFKZOZMBKD-UHFFFAOYSA-N PubChem CID: 826195 IUPAC Name: (4-phenoxyphenyl)methanol SMILES: OCC1=CC=C(OC2=CC=CC=C2)C=C1
| PubChem CID | 826195 |
|---|---|
| CAS | 2215-78-3 |
| Molecular Weight (g/mol) | 200.24 |
| MDL Number | MFCD01463970 |
| SMILES | OCC1=CC=C(OC2=CC=CC=C2)C=C1 |
| IUPAC Name | (4-phenoxyphenyl)methanol |
| InChI Key | FEOMFFKZOZMBKD-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
3-Phenoxyphenylacetic acid, 98%
CAS: 32852-81-6 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00016826 InChI Key: LEMRHTTWKDVQEI-UHFFFAOYSA-N Synonym: 3-phenoxyphenylacetic acid,2-3-phenoxyphenyl acetic acid,3-phenoxyphenyl acetic acid,3-phenoxy-phenyl-acetic acid,benzeneacetic acid, 3-phenoxy,3-phenoxyphenylaceticacid,m-phenoxyphenylacetic acid,acmc-20a35b,3-phenoxybenzeneacetic acid,3-phenoxyphenyl-acetic acid PubChem CID: 141749 IUPAC Name: 2-(3-phenoxyphenyl)acetic acid SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)CC(=O)O
| PubChem CID | 141749 |
|---|---|
| CAS | 32852-81-6 |
| Molecular Weight (g/mol) | 228.247 |
| MDL Number | MFCD00016826 |
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)CC(=O)O |
| Synonym | 3-phenoxyphenylacetic acid,2-3-phenoxyphenyl acetic acid,3-phenoxyphenyl acetic acid,3-phenoxy-phenyl-acetic acid,benzeneacetic acid, 3-phenoxy,3-phenoxyphenylaceticacid,m-phenoxyphenylacetic acid,acmc-20a35b,3-phenoxybenzeneacetic acid,3-phenoxyphenyl-acetic acid |
| IUPAC Name | 2-(3-phenoxyphenyl)acetic acid |
| InChI Key | LEMRHTTWKDVQEI-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3 |
Phenyl Ether-biphenyl Eutectic
CAS: 8004-13-5 Molecular Formula: C24H20O Molecular Weight (g/mol): 324.41 MDL Number: MFCD00148859 InChI Key: MHCVCKDNQYMGEX-UHFFFAOYSA-N Synonym: diphyl,dowtherm,dowtherm a,dinil,dinyl,therminol vp,phenyl ether-biphenyl mixture,phenyl ether-diphenyl mixture,biphenyl-diphenyl ether mixture,hsdb 137 PubChem CID: 24670 IUPAC Name: 1,1'-biphenyl;phenoxybenzene SMILES: C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)OC2=CC=CC=C2
| PubChem CID | 24670 |
|---|---|
| CAS | 8004-13-5 |
| Molecular Weight (g/mol) | 324.41 |
| MDL Number | MFCD00148859 |
| SMILES | C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)OC2=CC=CC=C2 |
| Synonym | diphyl,dowtherm,dowtherm a,dinil,dinyl,therminol vp,phenyl ether-biphenyl mixture,phenyl ether-diphenyl mixture,biphenyl-diphenyl ether mixture,hsdb 137 |
| IUPAC Name | 1,1'-biphenyl;phenoxybenzene |
| InChI Key | MHCVCKDNQYMGEX-UHFFFAOYSA-N |
| Molecular Formula | C24H20O |
Hydroxy(tosyloxy)iodobenzene, 97%
CAS: 27126-76-7 Molecular Formula: C13H13IO4S Molecular Weight (g/mol): 392.207 MDL Number: MFCD00011547 InChI Key: LRIUKPUCKCECPT-UHFFFAOYSA-N Synonym: hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide PubChem CID: 325434 IUPAC Name: [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O
| PubChem CID | 325434 |
|---|---|
| CAS | 27126-76-7 |
| Molecular Weight (g/mol) | 392.207 |
| MDL Number | MFCD00011547 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O |
| Synonym | hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide |
| IUPAC Name | [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate |
| InChI Key | LRIUKPUCKCECPT-UHFFFAOYSA-N |
| Molecular Formula | C13H13IO4S |
[Hydroxy(tosyloxy)iodo]benzene, 97%
CAS: 27126-76-7 Molecular Formula: C13H13IO4S Molecular Weight (g/mol): 392.21 MDL Number: MFCD00011547 InChI Key: LRIUKPUCKCECPT-UHFFFAOYSA-N Synonym: hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide PubChem CID: 325434 IUPAC Name: [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O
| PubChem CID | 325434 |
|---|---|
| CAS | 27126-76-7 |
| Molecular Weight (g/mol) | 392.21 |
| MDL Number | MFCD00011547 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)O |
| Synonym | hydroxy tosyloxy iodo benzene,htib,koser's reagent,phenyliodosohydroxy tosylate,koser reagent,unii-2eoa97b14a,hydroxy p-tolylsulfonyl oxy iodo benzene,hydroxy 4-methylbenzenesulfonato-o phenyliodine,iodosobenzene-i-mono-p-toluenesulfonate,hydroxy phenyl 4-methylbenzenesulfonoperoxoyl iodide |
| IUPAC Name | [hydroxy(phenyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate |
| InChI Key | LRIUKPUCKCECPT-UHFFFAOYSA-N |
| Molecular Formula | C13H13IO4S |
3-Sulfobenzoic acid monosodium salt, 97%
CAS: 17625-03-5 Molecular Formula: C7H5NaO5S Molecular Weight (g/mol): 224.162 MDL Number: MFCD00066378 InChI Key: KQHKITXZJDOIOD-UHFFFAOYSA-M PubChem CID: 23668512 IUPAC Name: sodium;3-sulfobenzoate SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)[O-].[Na+]
| PubChem CID | 23668512 |
|---|---|
| CAS | 17625-03-5 |
| Molecular Weight (g/mol) | 224.162 |
| MDL Number | MFCD00066378 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)[O-].[Na+] |
| IUPAC Name | sodium;3-sulfobenzoate |
| InChI Key | KQHKITXZJDOIOD-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO5S |
Mesitylenesulfonic acid sodium salt hemihydrate, 98%
CAS: 6148-75-0 Molecular Formula: C9H11NaO3S Molecular Weight (g/mol): 222.23 MDL Number: MFCD00067712 InChI Key: AOJUNZYQOYSGHT-UHFFFAOYSA-M Synonym: sodium mesitylenesulfonate,benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt,sodium 2,4,6-trimethylbenzenesulfonate,sodium 2,4,6-trimethylbenzenesulphonate,mesitylenesulfonic acid sodium salt hemihydrate,mesitylenesulfonic acid sodium salt,benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt 1:1,2,4,6-trimethylbenzenesulfonic acid sodium salt,mesitylene sodium sulfonate,acmc-1bbae PubChem CID: 23661859 IUPAC Name: sodium;2,4,6-trimethylbenzenesulfonate SMILES: [Na+].CC1=CC(C)=C(C(C)=C1)S([O-])(=O)=O
| PubChem CID | 23661859 |
|---|---|
| CAS | 6148-75-0 |
| Molecular Weight (g/mol) | 222.23 |
| MDL Number | MFCD00067712 |
| SMILES | [Na+].CC1=CC(C)=C(C(C)=C1)S([O-])(=O)=O |
| Synonym | sodium mesitylenesulfonate,benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt,sodium 2,4,6-trimethylbenzenesulfonate,sodium 2,4,6-trimethylbenzenesulphonate,mesitylenesulfonic acid sodium salt hemihydrate,mesitylenesulfonic acid sodium salt,benzenesulfonic acid, 2,4,6-trimethyl-, sodium salt 1:1,2,4,6-trimethylbenzenesulfonic acid sodium salt,mesitylene sodium sulfonate,acmc-1bbae |
| IUPAC Name | sodium;2,4,6-trimethylbenzenesulfonate |
| InChI Key | AOJUNZYQOYSGHT-UHFFFAOYSA-M |
| Molecular Formula | C9H11NaO3S |
2-Sulfobenzoic acid hydrate, 98%
CAS: 123333-68-6 Molecular Formula: C7H6O5S Molecular Weight (g/mol): 202.18 MDL Number: MFCD00007479 InChI Key: ZMPRRFPMMJQXPP-UHFFFAOYSA-N Synonym: 2-sulfobenzoic acid hydrate,benzoic acid, 2-sulfo-hydrate,acmc-20anmu,2-sulphobenzoic acid hydrate,c7h6o5s.h2o,2-sulfobenzoic acid, oxamethane,benzoic acid, 2-sulfo-, monohydrate PubChem CID: 24820382 IUPAC Name: 2-sulfobenzoic acid;hydrate SMILES: OC(=O)C1=CC=CC=C1S(O)(=O)=O
| PubChem CID | 24820382 |
|---|---|
| CAS | 123333-68-6 |
| Molecular Weight (g/mol) | 202.18 |
| MDL Number | MFCD00007479 |
| SMILES | OC(=O)C1=CC=CC=C1S(O)(=O)=O |
| Synonym | 2-sulfobenzoic acid hydrate,benzoic acid, 2-sulfo-hydrate,acmc-20anmu,2-sulphobenzoic acid hydrate,c7h6o5s.h2o,2-sulfobenzoic acid, oxamethane,benzoic acid, 2-sulfo-, monohydrate |
| IUPAC Name | 2-sulfobenzoic acid;hydrate |
| InChI Key | ZMPRRFPMMJQXPP-UHFFFAOYSA-N |
| Molecular Formula | C7H6O5S |
Sulfosalicylic Acid, Dihydrate, Crystal, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
| PubChem CID | 2723734 |
|---|---|
| CAS | 5965-83-3 |
| Molecular Weight (g/mol) | 250.27 |
| MDL Number | MFCD00007508,MFCD00149540 |
| SMILES | C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O |
| Synonym | 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd |
| InChI Key | NFYHZVWMQHQKRU-UHFFFAOYSA-N |
| Molecular Formula | C9H14O6S |