Benzene and substituted derivatives
Filtered Search Results
4-Fluorobenzyl chloride, 99%
CAS: 352-11-4 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00000913 InChI Key: IZXWCDITFDNEBY-UHFFFAOYSA-N Synonym: 4-fluorobenzyl chloride,1-chloromethyl-4-fluorobenzene,alpha-chloro-p-fluorotoluene,p-fluorobenzyl chloride,4-fluorobenzylchloride,benzene, 1-chloromethyl-4-fluoro,1-chloromethyl-4-fluoro-benzene,alpha-chloro-4-fluorotoluene,ccris 5107,chloro-4-fluorotoluene PubChem CID: 9602 IUPAC Name: 1-(chloromethyl)-4-fluorobenzene SMILES: C1=CC(=CC=C1CCl)F
| PubChem CID | 9602 |
|---|---|
| CAS | 352-11-4 |
| Molecular Weight (g/mol) | 144.573 |
| MDL Number | MFCD00000913 |
| SMILES | C1=CC(=CC=C1CCl)F |
| Synonym | 4-fluorobenzyl chloride,1-chloromethyl-4-fluorobenzene,alpha-chloro-p-fluorotoluene,p-fluorobenzyl chloride,4-fluorobenzylchloride,benzene, 1-chloromethyl-4-fluoro,1-chloromethyl-4-fluoro-benzene,alpha-chloro-4-fluorotoluene,ccris 5107,chloro-4-fluorotoluene |
| IUPAC Name | 1-(chloromethyl)-4-fluorobenzene |
| InChI Key | IZXWCDITFDNEBY-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClF |
2-Fluorobenzyl alcohol, 98%
CAS: 446-51-5 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00004601 InChI Key: QEHXDOJPVIHUDO-UHFFFAOYSA-N Synonym: 2-fluorobenzyl alcohol,2-fluorophenyl methanol,o-fluorobenzyl alcohol,benzenemethanol, 2-fluoro,2-fluorobenzylalcohol,2-fluoro-benzenemethanol,2-fluorobenzylic alcohol,2-fluorophenyl methan-1-ol,pubchem3485,acmc-1asq8 PubChem CID: 67969 IUPAC Name: (2-fluorophenyl)methanol SMILES: OCC1=CC=CC=C1F
| PubChem CID | 67969 |
|---|---|
| CAS | 446-51-5 |
| Molecular Weight (g/mol) | 126.13 |
| MDL Number | MFCD00004601 |
| SMILES | OCC1=CC=CC=C1F |
| Synonym | 2-fluorobenzyl alcohol,2-fluorophenyl methanol,o-fluorobenzyl alcohol,benzenemethanol, 2-fluoro,2-fluorobenzylalcohol,2-fluoro-benzenemethanol,2-fluorobenzylic alcohol,2-fluorophenyl methan-1-ol,pubchem3485,acmc-1asq8 |
| IUPAC Name | (2-fluorophenyl)methanol |
| InChI Key | QEHXDOJPVIHUDO-UHFFFAOYSA-N |
| Molecular Formula | C7H7FO |
2,4-Dinitrobenzoic acid, 98%
CAS: 610-30-0 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.117 MDL Number: MFCD00017006 InChI Key: ZIIGSRYPZWDGBT-UHFFFAOYSA-N Synonym: 2,4-dinitrobenzoic acid,benzoic acid, 2,4-dinitro,ccris 1766,acmc-20aoc2,2.4-dinitrobenzoic acid,benzoicacid, 2,4-dinitro,2,4-dinitrobenzoic acidanion,4-09-00-01239 beilstein handbook reference,aronis26960,1-carboxy-2,4-dinitrobenzene PubChem CID: 11880 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O
| PubChem CID | 11880 |
|---|---|
| CAS | 610-30-0 |
| Molecular Weight (g/mol) | 212.117 |
| MDL Number | MFCD00017006 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| Synonym | 2,4-dinitrobenzoic acid,benzoic acid, 2,4-dinitro,ccris 1766,acmc-20aoc2,2.4-dinitrobenzoic acid,benzoicacid, 2,4-dinitro,2,4-dinitrobenzoic acidanion,4-09-00-01239 beilstein handbook reference,aronis26960,1-carboxy-2,4-dinitrobenzene |
| InChI Key | ZIIGSRYPZWDGBT-UHFFFAOYSA-N |
| Molecular Formula | C7H4N2O6 |
3-Chlorobenzylamine, 97%
CAS: 4152-90-3 Molecular Formula: C7H8ClN Molecular Weight (g/mol): 141.598 MDL Number: MFCD00040752 InChI Key: BJFPYGGTDAYECS-UHFFFAOYSA-N Synonym: 3-chlorobenzylamine,3-chlorophenyl methanamine,benzenemethanamine, 3-chloro,1-3-chlorophenyl methanamine,m-chlorobenzylamine,3-chloro-benzylamine,m-chlorobenzyl amine,3-chlorophenyl methylamine,chembl12957,c2a PubChem CID: 77802 IUPAC Name: (3-chlorophenyl)methanamine SMILES: C1=CC(=CC(=C1)Cl)CN
| PubChem CID | 77802 |
|---|---|
| CAS | 4152-90-3 |
| Molecular Weight (g/mol) | 141.598 |
| MDL Number | MFCD00040752 |
| SMILES | C1=CC(=CC(=C1)Cl)CN |
| Synonym | 3-chlorobenzylamine,3-chlorophenyl methanamine,benzenemethanamine, 3-chloro,1-3-chlorophenyl methanamine,m-chlorobenzylamine,3-chloro-benzylamine,m-chlorobenzyl amine,3-chlorophenyl methylamine,chembl12957,c2a |
| IUPAC Name | (3-chlorophenyl)methanamine |
| InChI Key | BJFPYGGTDAYECS-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClN |
3,5-Bis(trifluoromethyl)thiophenol, 98%
CAS: 130783-02-7 Molecular Formula: C8H4F6S Molecular Weight (g/mol): 246.17 MDL Number: MFCD00042273 InChI Key: KCAQWPZIMLLEAF-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzenethiol,3,5-bis trifluoromethyl thiophenol,3,5-bis trifluoromethyl benzene-1-thiol,pubchem15275,acmc-209bji,3,5-bis trifluoromethyl-benzenethiol,3,5-bis trifluoromethyl benzenethiol # PubChem CID: 518690 IUPAC Name: 3,5-bis(trifluoromethyl)benzenethiol SMILES: C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F
| PubChem CID | 518690 |
|---|---|
| CAS | 130783-02-7 |
| Molecular Weight (g/mol) | 246.17 |
| MDL Number | MFCD00042273 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl benzenethiol,3,5-bis trifluoromethyl thiophenol,3,5-bis trifluoromethyl benzene-1-thiol,pubchem15275,acmc-209bji,3,5-bis trifluoromethyl-benzenethiol,3,5-bis trifluoromethyl benzenethiol # |
| IUPAC Name | 3,5-bis(trifluoromethyl)benzenethiol |
| InChI Key | KCAQWPZIMLLEAF-UHFFFAOYSA-N |
| Molecular Formula | C8H4F6S |
4-Nitrobenzyl bromide, 97+%
CAS: 100-11-8 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00007373 InChI Key: VOLRSQPSJGXRNJ-UHFFFAOYSA-N Synonym: 4-nitrobenzyl bromide,1-bromomethyl-4-nitrobenzene,p-nitrobenzyl bromide,nitrobenzyl bromide,alpha-bromo-4-nitrotoluene,benzene, 1-bromomethyl-4-nitro,p-bromomethyl nitrobenzene,4-bromomethyl nitrobenzene,alpha-bromo-p-nitrotoluene,4-nitrobenzylbromide PubChem CID: 66011 ChEBI: CHEBI:62822 IUPAC Name: 1-(bromomethyl)-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(CBr)C=C1
| PubChem CID | 66011 |
|---|---|
| CAS | 100-11-8 |
| Molecular Weight (g/mol) | 216.03 |
| ChEBI | CHEBI:62822 |
| MDL Number | MFCD00007373 |
| SMILES | [O-][N+](=O)C1=CC=C(CBr)C=C1 |
| Synonym | 4-nitrobenzyl bromide,1-bromomethyl-4-nitrobenzene,p-nitrobenzyl bromide,nitrobenzyl bromide,alpha-bromo-4-nitrotoluene,benzene, 1-bromomethyl-4-nitro,p-bromomethyl nitrobenzene,4-bromomethyl nitrobenzene,alpha-bromo-p-nitrotoluene,4-nitrobenzylbromide |
| IUPAC Name | 1-(bromomethyl)-4-nitrobenzene |
| InChI Key | VOLRSQPSJGXRNJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
1,2-Dibromo-4,5-difluorobenzene, 98%
CAS: 64695-78-9 Molecular Formula: C6H2Br2F2 Molecular Weight (g/mol): 271.887 MDL Number: MFCD00009890 InChI Key: JTEZQWOKRHOKDG-UHFFFAOYSA-N Synonym: benzene, 1,2-dibromo-4,5-difluoro,1,2-dibromo-4,5-difluoro-benzene,1,2-difluoro-4,5-dibromobenzene,zlchem 536,pubchem3440,acmc-1biw8,1,2-dibromo-4,5-difluorobenzene,benzene, 1,2-dibromo-4,5-difluoro-;1,2-dibromo-4,5-difl PubChem CID: 94949 IUPAC Name: 1,2-dibromo-4,5-difluorobenzene SMILES: C1=C(C(=CC(=C1Br)Br)F)F
| PubChem CID | 94949 |
|---|---|
| CAS | 64695-78-9 |
| Molecular Weight (g/mol) | 271.887 |
| MDL Number | MFCD00009890 |
| SMILES | C1=C(C(=CC(=C1Br)Br)F)F |
| Synonym | benzene, 1,2-dibromo-4,5-difluoro,1,2-dibromo-4,5-difluoro-benzene,1,2-difluoro-4,5-dibromobenzene,zlchem 536,pubchem3440,acmc-1biw8,1,2-dibromo-4,5-difluorobenzene,benzene, 1,2-dibromo-4,5-difluoro-;1,2-dibromo-4,5-difl |
| IUPAC Name | 1,2-dibromo-4,5-difluorobenzene |
| InChI Key | JTEZQWOKRHOKDG-UHFFFAOYSA-N |
| Molecular Formula | C6H2Br2F2 |
3,4-Dichlorophenylhydrazine hydrochloride, 98+%
CAS: 19763-90-7 Molecular Formula: C6H7Cl3N2 Molecular Weight (g/mol): 213.486 MDL Number: MFCD00012937 InChI Key: WIKZRYSGQPZTMM-UHFFFAOYSA-N Synonym: 3,4-dichlorophenylhydrazine hydrochloride,3,4-dichlorophenyl hydrazine hydrochloride,1-3,4-dichlorophenyl hydrazine hydrochloride,3,4-dichlorophenyl hydrazine monohydrochloride,hydrazine, 3,4-dichlorophenyl-, monohydrochloride,3,4-dichlorophenylhydrazinehydrochloride,pubchem7530,acmc-209f1i,ksc491e2j PubChem CID: 3084323 IUPAC Name: (3,4-dichlorophenyl)hydrazine;hydrochloride SMILES: C1=CC(=C(C=C1NN)Cl)Cl.Cl
| PubChem CID | 3084323 |
|---|---|
| CAS | 19763-90-7 |
| Molecular Weight (g/mol) | 213.486 |
| MDL Number | MFCD00012937 |
| SMILES | C1=CC(=C(C=C1NN)Cl)Cl.Cl |
| Synonym | 3,4-dichlorophenylhydrazine hydrochloride,3,4-dichlorophenyl hydrazine hydrochloride,1-3,4-dichlorophenyl hydrazine hydrochloride,3,4-dichlorophenyl hydrazine monohydrochloride,hydrazine, 3,4-dichlorophenyl-, monohydrochloride,3,4-dichlorophenylhydrazinehydrochloride,pubchem7530,acmc-209f1i,ksc491e2j |
| IUPAC Name | (3,4-dichlorophenyl)hydrazine;hydrochloride |
| InChI Key | WIKZRYSGQPZTMM-UHFFFAOYSA-N |
| Molecular Formula | C6H7Cl3N2 |
2-(Trifluoromethyl)benzonitrile, 97%
CAS: 447-60-9 Molecular Formula: C8H4F3N Molecular Weight (g/mol): 171.122 MDL Number: MFCD00001791 InChI Key: SOZGHDCEWOLLHV-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzonitrile,o-trifluoromethylbenzonitrile,2-cyanobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolunitrile,a,a,a-trifluoro-o-tolunitrile,2-trifluoromethyl-benzonitrile,alpha,alpha,alpha-trifluoro-2-toluonitrile,benzonitrile, trifluoromethyl,benzonitrile, 2-trifluoromethyl,2-trifluoromethyl benzenecarbonitrile PubChem CID: 67972 IUPAC Name: 2-(trifluoromethyl)benzonitrile SMILES: C1=CC=C(C(=C1)C#N)C(F)(F)F
| PubChem CID | 67972 |
|---|---|
| CAS | 447-60-9 |
| Molecular Weight (g/mol) | 171.122 |
| MDL Number | MFCD00001791 |
| SMILES | C1=CC=C(C(=C1)C#N)C(F)(F)F |
| Synonym | 2-trifluoromethyl benzonitrile,o-trifluoromethylbenzonitrile,2-cyanobenzotrifluoride,alpha,alpha,alpha-trifluoro-o-tolunitrile,a,a,a-trifluoro-o-tolunitrile,2-trifluoromethyl-benzonitrile,alpha,alpha,alpha-trifluoro-2-toluonitrile,benzonitrile, trifluoromethyl,benzonitrile, 2-trifluoromethyl,2-trifluoromethyl benzenecarbonitrile |
| IUPAC Name | 2-(trifluoromethyl)benzonitrile |
| InChI Key | SOZGHDCEWOLLHV-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3N |
N-Benzyl-N-phenylhydrazine hydrochloride, 98+%
CAS: 5705-15-7 Molecular Formula: C13H15ClN2 Molecular Weight (g/mol): 234.73 MDL Number: MFCD00050690 InChI Key: JTYLHYOCBGPMNO-UHFFFAOYSA-N Synonym: 1-benzyl-1-phenylhydrazine hydrochloride,n-benzyl-n-phenylhydrazine hydrochloride,usaf ek-1666,hydrazine, 1-phenyl-1-phenylmethyl-, monohydrochloride,alpha-benzyl-alpha-phenylhydrazine hydrochloride,n-benzyl-n-phenylhydrazinium 1+ chloride,hydrazine, 1-benzyl-1-phenyl-, hydrochloride,1-benzyl-1-phenylhydrazine hydrochloride van,hydrazine, 1-phenyl-1-phenylmethyl-, hydrochloride 1:1,acmc-209lvq PubChem CID: 79785 IUPAC Name: 1-benzyl-1-phenylhydrazine;hydrochloride SMILES: [H+].[Cl-].NN(CC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 79785 |
|---|---|
| CAS | 5705-15-7 |
| Molecular Weight (g/mol) | 234.73 |
| MDL Number | MFCD00050690 |
| SMILES | [H+].[Cl-].NN(CC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1-benzyl-1-phenylhydrazine hydrochloride,n-benzyl-n-phenylhydrazine hydrochloride,usaf ek-1666,hydrazine, 1-phenyl-1-phenylmethyl-, monohydrochloride,alpha-benzyl-alpha-phenylhydrazine hydrochloride,n-benzyl-n-phenylhydrazinium 1+ chloride,hydrazine, 1-benzyl-1-phenyl-, hydrochloride,1-benzyl-1-phenylhydrazine hydrochloride van,hydrazine, 1-phenyl-1-phenylmethyl-, hydrochloride 1:1,acmc-209lvq |
| IUPAC Name | 1-benzyl-1-phenylhydrazine;hydrochloride |
| InChI Key | JTYLHYOCBGPMNO-UHFFFAOYSA-N |
| Molecular Formula | C13H15ClN2 |
4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride, 99%
CAS: 17823-46-0 Molecular Formula: C7BrF7 Molecular Weight (g/mol): 296.97 MDL Number: MFCD00075240 InChI Key: DONVNRFILRLHJB-UHFFFAOYSA-N Synonym: 1-bromo-2,3,5,6-tetrafluoro-4-trifluoromethyl benzene,4-bromo-2,3,5,6-tetrafluorobenzotrifluoride,p-bromoheptafluorotoluene,4-trifluoromethyl-2,3,5,6-tetrafluorobromobenzene,acmc-209ee7,4-bromoheptafluorotoluene,4-bromo-alpha,alpha,alpha,2,3,5,6-heptafluorotoluene,1-trifluoromethyl-2,3,5,6-tetrafluoro-4-bromobenzene PubChem CID: 626637 IUPAC Name: 1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)C(F)(F)F
| PubChem CID | 626637 |
|---|---|
| CAS | 17823-46-0 |
| Molecular Weight (g/mol) | 296.97 |
| MDL Number | MFCD00075240 |
| SMILES | C1(=C(C(=C(C(=C1F)F)Br)F)F)C(F)(F)F |
| Synonym | 1-bromo-2,3,5,6-tetrafluoro-4-trifluoromethyl benzene,4-bromo-2,3,5,6-tetrafluorobenzotrifluoride,p-bromoheptafluorotoluene,4-trifluoromethyl-2,3,5,6-tetrafluorobromobenzene,acmc-209ee7,4-bromoheptafluorotoluene,4-bromo-alpha,alpha,alpha,2,3,5,6-heptafluorotoluene,1-trifluoromethyl-2,3,5,6-tetrafluoro-4-bromobenzene |
| IUPAC Name | 1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene |
| InChI Key | DONVNRFILRLHJB-UHFFFAOYSA-N |
| Molecular Formula | C7BrF7 |
4-Fluorodiphenyl ether, 99%
CAS: 330-84-7 Molecular Formula: C12H9FO Molecular Weight (g/mol): 188.20 MDL Number: MFCD00055239 InChI Key: AODSTUBSNYVSSL-UHFFFAOYSA-N Synonym: 4-fluorodiphenyl ether,4-fluorophenyl phenyl ether,benzene, 1-fluoro-4-phenoxy,4-fluoro-1-phenoxybenzene,4-fluorodiphenylether,4-fluorophenoxybenzene,pubchem1899,4-fluoroduphenyl ether,4-fluorophenylphenylether,# PubChem CID: 67614 IUPAC Name: 1-fluoro-4-phenoxybenzene SMILES: FC1=CC=C(OC2=CC=CC=C2)C=C1
| PubChem CID | 67614 |
|---|---|
| CAS | 330-84-7 |
| Molecular Weight (g/mol) | 188.20 |
| MDL Number | MFCD00055239 |
| SMILES | FC1=CC=C(OC2=CC=CC=C2)C=C1 |
| Synonym | 4-fluorodiphenyl ether,4-fluorophenyl phenyl ether,benzene, 1-fluoro-4-phenoxy,4-fluoro-1-phenoxybenzene,4-fluorodiphenylether,4-fluorophenoxybenzene,pubchem1899,4-fluoroduphenyl ether,4-fluorophenylphenylether,# |
| IUPAC Name | 1-fluoro-4-phenoxybenzene |
| InChI Key | AODSTUBSNYVSSL-UHFFFAOYSA-N |
| Molecular Formula | C12H9FO |
Methyl 3-methyl-4-nitrobenzoate, 97%
CAS: 24078-21-5 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00085640 InChI Key: IEFONJKJLZFGKQ-UHFFFAOYSA-N Synonym: benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d PubChem CID: 260927 IUPAC Name: methyl 3-methyl-4-nitrobenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]
| PubChem CID | 260927 |
|---|---|
| CAS | 24078-21-5 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD00085640 |
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-] |
| Synonym | benzoic acid, 3-methyl-4-nitro-, methyl ester,3-methyl-4-nitrobenzoic acid methyl ester,m-toluic acid, 4-nitro-, methyl ester,methyl 3-methyl-4-nitrobenzenecarboxylate,benzoic acid, 3-methyl-4-nitro, methyl ester,methyl3-methyl-4-nitrobenzoate,pubchem2350,acmc-1cfdu,methyl 4-nitro-m-toluate,ksc205m3d |
| IUPAC Name | methyl 3-methyl-4-nitrobenzoate |
| InChI Key | IEFONJKJLZFGKQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
5-Bromo-1,2,3-trifluorobenzene, 98%
CAS: 138526-69-9 Molecular Formula: C6H2BrF3 Molecular Weight (g/mol): 210.981 MDL Number: MFCD00070738 InChI Key: HKJCELUUIFFSIN-UHFFFAOYSA-N Synonym: 1-bromo-3,4,5-trifluorobenzene,3,4,5-trifluorobromobenzene,1,2,3-trifluoro-5-bromobenzene,5-bromo-1,2,3-trifluoro-benzene,benzene, 5-bromo-1,2,3-trifluoro,pubchem2304,acmc-1c02k,ksc174s3f,3,4,5-trifluoro-bromobenzene,3,4,5-trifluorophenyl bromide PubChem CID: 611409 IUPAC Name: 5-bromo-1,2,3-trifluorobenzene SMILES: C1=C(C=C(C(=C1F)F)F)Br
| PubChem CID | 611409 |
|---|---|
| CAS | 138526-69-9 |
| Molecular Weight (g/mol) | 210.981 |
| MDL Number | MFCD00070738 |
| SMILES | C1=C(C=C(C(=C1F)F)F)Br |
| Synonym | 1-bromo-3,4,5-trifluorobenzene,3,4,5-trifluorobromobenzene,1,2,3-trifluoro-5-bromobenzene,5-bromo-1,2,3-trifluoro-benzene,benzene, 5-bromo-1,2,3-trifluoro,pubchem2304,acmc-1c02k,ksc174s3f,3,4,5-trifluoro-bromobenzene,3,4,5-trifluorophenyl bromide |
| IUPAC Name | 5-bromo-1,2,3-trifluorobenzene |
| InChI Key | HKJCELUUIFFSIN-UHFFFAOYSA-N |
| Molecular Formula | C6H2BrF3 |
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 |