Benzene and substituted derivatives
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3-Chlorobenzyl bromide, 97%
CAS: 766-80-3 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.48 MDL Number: MFCD00000597 InChI Key: LZIYAIRGDHSVED-UHFFFAOYSA-N Synonym: 3-chlorobenzyl bromide,1-bromomethyl-3-chlorobenzene,3-chlorobenzylbromide,alpha-bromo-3-chlorotoluene,m-chlorobenzyl bromide,benzene, 1-bromomethyl-3-chloro,alpha-bromo-m-chlorotoluene,.alpha.-bromo-m-chlorotoluene,1-bromomethyl-3-chloro-benzene,3-chorobenzylbromide PubChem CID: 69838 IUPAC Name: 1-(bromomethyl)-3-chlorobenzene SMILES: ClC1=CC=CC(CBr)=C1
| PubChem CID | 69838 |
|---|---|
| CAS | 766-80-3 |
| Molecular Weight (g/mol) | 205.48 |
| MDL Number | MFCD00000597 |
| SMILES | ClC1=CC=CC(CBr)=C1 |
| Synonym | 3-chlorobenzyl bromide,1-bromomethyl-3-chlorobenzene,3-chlorobenzylbromide,alpha-bromo-3-chlorotoluene,m-chlorobenzyl bromide,benzene, 1-bromomethyl-3-chloro,alpha-bromo-m-chlorotoluene,.alpha.-bromo-m-chlorotoluene,1-bromomethyl-3-chloro-benzene,3-chorobenzylbromide |
| IUPAC Name | 1-(bromomethyl)-3-chlorobenzene |
| InChI Key | LZIYAIRGDHSVED-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrCl |
4-Hydroxymethylbenzoic acid, 98%
CAS: 3006-96-0 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00017598 InChI Key: WWYFPDXEIFBNKE-UHFFFAOYSA-N Synonym: 4-hydroxymethyl benzoic acid,4-hydroxythylbenzoic acid,unii-9z28l8sthd,hmba linker,4-hydroxymethyl-benzoic acid,benzoic acid, 4-hydroxymethyl,p-hydroxymethyl benzoic acid,4-hydroxymethyl benzoicacid,9z28l8sthd PubChem CID: 76360 IUPAC Name: 4-(hydroxymethyl)benzoic acid SMILES: OCC1=CC=C(C=C1)C(O)=O
| PubChem CID | 76360 |
|---|---|
| CAS | 3006-96-0 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00017598 |
| SMILES | OCC1=CC=C(C=C1)C(O)=O |
| Synonym | 4-hydroxymethyl benzoic acid,4-hydroxythylbenzoic acid,unii-9z28l8sthd,hmba linker,4-hydroxymethyl-benzoic acid,benzoic acid, 4-hydroxymethyl,p-hydroxymethyl benzoic acid,4-hydroxymethyl benzoicacid,9z28l8sthd |
| IUPAC Name | 4-(hydroxymethyl)benzoic acid |
| InChI Key | WWYFPDXEIFBNKE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-Methylbenzyl chloride, 98%
CAS: 104-82-5 Molecular Formula: C8H9Cl Molecular Weight (g/mol): 140.61 MDL Number: MFCD00000919 InChI Key: DMHZDOTYAVHSEH-UHFFFAOYSA-N Synonym: 4-methylbenzyl chloride,p-xylyl chloride,1-chloromethyl-4-methylbenzene,alpha-chloro-p-xylene,p-methylbenzyl chloride,benzene, 1-chloromethyl-4-methyl,p-chloromethyl toluene,4-chloromethyl toluene,p-tolylmethyl chloride,p-xylene, alpha-chloro PubChem CID: 7722 IUPAC Name: 1-(chloromethyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)CCl
| PubChem CID | 7722 |
|---|---|
| CAS | 104-82-5 |
| Molecular Weight (g/mol) | 140.61 |
| MDL Number | MFCD00000919 |
| SMILES | CC1=CC=C(C=C1)CCl |
| Synonym | 4-methylbenzyl chloride,p-xylyl chloride,1-chloromethyl-4-methylbenzene,alpha-chloro-p-xylene,p-methylbenzyl chloride,benzene, 1-chloromethyl-4-methyl,p-chloromethyl toluene,4-chloromethyl toluene,p-tolylmethyl chloride,p-xylene, alpha-chloro |
| IUPAC Name | 1-(chloromethyl)-4-methylbenzene |
| InChI Key | DMHZDOTYAVHSEH-UHFFFAOYSA-N |
| Molecular Formula | C8H9Cl |
LiChropur™ (S)-(+)-α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride, 99.0%, MilliporeSigma™ Supelco™
CAS: 20445-33-4 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.62 MDL Number: MFCD00067105 InChI Key: PAORVUMOXXAMPL-SECBINFHSA-N Synonym: (S)-(+)-MTPA-Cl; Mosher's acid chloride IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: CO[C@@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F
| CAS | 20445-33-4 |
|---|---|
| Molecular Weight (g/mol) | 252.62 |
| MDL Number | MFCD00067105 |
| SMILES | CO[C@@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F |
| Synonym | (S)-(+)-MTPA-Cl; Mosher's acid chloride |
| IUPAC Name | (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride |
| InChI Key | PAORVUMOXXAMPL-SECBINFHSA-N |
| Molecular Formula | C10H8ClF3O2 |
1,2-Benzenedimethanol, 97%
CAS: 612-14-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004626 InChI Key: XMUZQOKACOLCSS-UHFFFAOYSA-N Synonym: 1,2-benzenedimethanol,1,2-phenylenedimethanol,phthalyl alcohol,1,2-dihydroxymethylbenzene,o-xylene-alpha,alpha'-diol,2-hydroxymethyl phenyl methanol,benzenedimethanol,o-xylylene glycol,1,2-di hydroxymethyl benzene,2-hydroxymethylbenzenemethanol PubChem CID: 69153 IUPAC Name: [2-(hydroxymethyl)phenyl]methanol SMILES: OCC1=CC=CC=C1CO
| PubChem CID | 69153 |
|---|---|
| CAS | 612-14-6 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00004626 |
| SMILES | OCC1=CC=CC=C1CO |
| Synonym | 1,2-benzenedimethanol,1,2-phenylenedimethanol,phthalyl alcohol,1,2-dihydroxymethylbenzene,o-xylene-alpha,alpha'-diol,2-hydroxymethyl phenyl methanol,benzenedimethanol,o-xylylene glycol,1,2-di hydroxymethyl benzene,2-hydroxymethylbenzenemethanol |
| IUPAC Name | [2-(hydroxymethyl)phenyl]methanol |
| InChI Key | XMUZQOKACOLCSS-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
1,3-Dichloro-5-(chloromethyl)benzene, 97%, Thermo Scientific™
CAS: 3290-06-0 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.467 InChI Key: ZFLRKAMKGYNFPH-UHFFFAOYSA-N Synonym: 3,5-dichlorobenzyl chloride,1,3-dichloro-5-chloromethyl benzene,benzene, 1,3-dichloro-5-chloromethyl,3,5-dichlorobenzylchloride,unii-c076i19eql,5-chloromethyl-1,3-dichlorobenzene,pubchem16695,alpha,3,5-trichlorotoluene,3,4-dichloro benzyl chloride,ksc495g8l PubChem CID: 137880 IUPAC Name: 1,3-dichloro-5-(chloromethyl)benzene SMILES: C1=C(C=C(C=C1Cl)Cl)CCl
| PubChem CID | 137880 |
|---|---|
| CAS | 3290-06-0 |
| Molecular Weight (g/mol) | 195.467 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)CCl |
| Synonym | 3,5-dichlorobenzyl chloride,1,3-dichloro-5-chloromethyl benzene,benzene, 1,3-dichloro-5-chloromethyl,3,5-dichlorobenzylchloride,unii-c076i19eql,5-chloromethyl-1,3-dichlorobenzene,pubchem16695,alpha,3,5-trichlorotoluene,3,4-dichloro benzyl chloride,ksc495g8l |
| IUPAC Name | 1,3-dichloro-5-(chloromethyl)benzene |
| InChI Key | ZFLRKAMKGYNFPH-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl3 |
3-Bromobenzyl bromide, 95%
CAS: 823-78-9 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.93 MDL Number: MFCD00000176 InChI Key: ZPCJPJQUVRIILS-UHFFFAOYSA-N Synonym: 3-bromobenzyl bromide,1-bromo-3-bromomethyl benzene,m-bromobenzyl bromide,3-bromobenzylbromide,benzene, 1-bromo-3-bromomethyl,alpha,3-dibromotoluene,alpha,m-dibromotoluene,3-bromo benzyl bromide,1-bromo-3-bromomethyl-benzene,alpha-3-dibromotoluene PubChem CID: 69979 IUPAC Name: 1-bromo-3-(bromomethyl)benzene SMILES: C1=CC(=CC(=C1)Br)CBr
| PubChem CID | 69979 |
|---|---|
| CAS | 823-78-9 |
| Molecular Weight (g/mol) | 249.93 |
| MDL Number | MFCD00000176 |
| SMILES | C1=CC(=CC(=C1)Br)CBr |
| Synonym | 3-bromobenzyl bromide,1-bromo-3-bromomethyl benzene,m-bromobenzyl bromide,3-bromobenzylbromide,benzene, 1-bromo-3-bromomethyl,alpha,3-dibromotoluene,alpha,m-dibromotoluene,3-bromo benzyl bromide,1-bromo-3-bromomethyl-benzene,alpha-3-dibromotoluene |
| IUPAC Name | 1-bromo-3-(bromomethyl)benzene |
| InChI Key | ZPCJPJQUVRIILS-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2 |
4-(Bromomethyl)benzaldehyde, 97%, Thermo Scientific™
CAS: 51359-78-5 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 InChI Key: XYPVBKDHERGKJG-UHFFFAOYSA-N PubChem CID: 11206421 IUPAC Name: 4-(bromomethyl)benzaldehyde SMILES: C1=CC(=CC=C1CBr)C=O
| PubChem CID | 11206421 |
|---|---|
| CAS | 51359-78-5 |
| Molecular Weight (g/mol) | 199.047 |
| SMILES | C1=CC(=CC=C1CBr)C=O |
| IUPAC Name | 4-(bromomethyl)benzaldehyde |
| InChI Key | XYPVBKDHERGKJG-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |
Methyl 3-(bromomethyl)benzoate, 95%
CAS: 1129-28-8 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00051437 InChI Key: YUHSMQQNPRLEEJ-UHFFFAOYSA-N Synonym: methyl 3-bromomethyl benzoate,m-carbomethoxybenzyl bromide,3-bromomethyl benzoic acid methyl ester,benzoic acid, 3-bromomethyl-, methyl ester,methyl-3-bromomethylbenzoate,methyl alpha-bromo-m-toluate,methyl3-bromomethyl benzoate,methyl-3-bromomethyl benzoate,3-carbomethoxybenzyl bromide PubChem CID: 517981 IUPAC Name: methyl 3-(bromomethyl)benzoate SMILES: COC(=O)C1=CC=CC(CBr)=C1
| PubChem CID | 517981 |
|---|---|
| CAS | 1129-28-8 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00051437 |
| SMILES | COC(=O)C1=CC=CC(CBr)=C1 |
| Synonym | methyl 3-bromomethyl benzoate,m-carbomethoxybenzyl bromide,3-bromomethyl benzoic acid methyl ester,benzoic acid, 3-bromomethyl-, methyl ester,methyl-3-bromomethylbenzoate,methyl alpha-bromo-m-toluate,methyl3-bromomethyl benzoate,methyl-3-bromomethyl benzoate,3-carbomethoxybenzyl bromide |
| IUPAC Name | methyl 3-(bromomethyl)benzoate |
| InChI Key | YUHSMQQNPRLEEJ-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
2-Nitrobenzyl bromide, 97%
CAS: 3958-60-9 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00007184 InChI Key: HXBMIQJOSHZCFX-UHFFFAOYSA-N Synonym: 2-nitrobenzyl bromide,1-bromomethyl-2-nitrobenzene,o-nitrobenzyl bromide,alpha-bromo-2-nitrotoluene,2-bromomethyl nitrobenzene,1-bromomethyl-2-nitro-benzene,benzene, 1-bromomethyl-2-nitro,ccris 7966,2-nitro benzyl bromide,2-nitro-benzyl bromide PubChem CID: 77569 IUPAC Name: 1-(bromomethyl)-2-nitrobenzene SMILES: C1=CC=C(C(=C1)CBr)[N+](=O)[O-]
| PubChem CID | 77569 |
|---|---|
| CAS | 3958-60-9 |
| Molecular Weight (g/mol) | 216.03 |
| MDL Number | MFCD00007184 |
| SMILES | C1=CC=C(C(=C1)CBr)[N+](=O)[O-] |
| Synonym | 2-nitrobenzyl bromide,1-bromomethyl-2-nitrobenzene,o-nitrobenzyl bromide,alpha-bromo-2-nitrotoluene,2-bromomethyl nitrobenzene,1-bromomethyl-2-nitro-benzene,benzene, 1-bromomethyl-2-nitro,ccris 7966,2-nitro benzyl bromide,2-nitro-benzyl bromide |
| IUPAC Name | 1-(bromomethyl)-2-nitrobenzene |
| InChI Key | HXBMIQJOSHZCFX-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
4-Bromo-2-fluorobenzyl alcohol, 97%, Thermo Scientific Chemicals
CAS: 188582-62-9 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.026 MDL Number: MFCD00143265 InChI Key: BWBJZMQPVBWEJU-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorobenzyl alcohol,4-bromo-2-fluorophenyl methanol,4-bromo-2-fluorobenzylalcohol,benzenemethanol, 4-bromo-2-fluoro,rarechem al bd 0386,timtec-bb sbb005826,4-bromo-2-fluorophenyl methan-1-ol,2-fluoro-4-bromobenzyl alcohol,pubchem3223,acmc-209erg PubChem CID: 2734027 IUPAC Name: (4-bromo-2-fluorophenyl)methanol SMILES: C1=CC(=C(C=C1Br)F)CO
| PubChem CID | 2734027 |
|---|---|
| CAS | 188582-62-9 |
| Molecular Weight (g/mol) | 205.026 |
| MDL Number | MFCD00143265 |
| SMILES | C1=CC(=C(C=C1Br)F)CO |
| Synonym | 4-bromo-2-fluorobenzyl alcohol,4-bromo-2-fluorophenyl methanol,4-bromo-2-fluorobenzylalcohol,benzenemethanol, 4-bromo-2-fluoro,rarechem al bd 0386,timtec-bb sbb005826,4-bromo-2-fluorophenyl methan-1-ol,2-fluoro-4-bromobenzyl alcohol,pubchem3223,acmc-209erg |
| IUPAC Name | (4-bromo-2-fluorophenyl)methanol |
| InChI Key | BWBJZMQPVBWEJU-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrFO |
1,2-Benzenedimethanol, 97%
CAS: 612-14-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004626 InChI Key: XMUZQOKACOLCSS-UHFFFAOYSA-N Synonym: 1,2-benzenedimethanol,1,2-phenylenedimethanol,phthalyl alcohol,1,2-dihydroxymethylbenzene,o-xylene-alpha,alpha'-diol,2-hydroxymethyl phenyl methanol,benzenedimethanol,o-xylylene glycol,1,2-di hydroxymethyl benzene,2-hydroxymethylbenzenemethanol PubChem CID: 69153 IUPAC Name: [2-(hydroxymethyl)phenyl]methanol SMILES: OCC1=CC=CC=C1CO
| PubChem CID | 69153 |
|---|---|
| CAS | 612-14-6 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00004626 |
| SMILES | OCC1=CC=CC=C1CO |
| Synonym | 1,2-benzenedimethanol,1,2-phenylenedimethanol,phthalyl alcohol,1,2-dihydroxymethylbenzene,o-xylene-alpha,alpha'-diol,2-hydroxymethyl phenyl methanol,benzenedimethanol,o-xylylene glycol,1,2-di hydroxymethyl benzene,2-hydroxymethylbenzenemethanol |
| IUPAC Name | [2-(hydroxymethyl)phenyl]methanol |
| InChI Key | XMUZQOKACOLCSS-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
3-Aminobenzyl alcohol, 97%
CAS: 1877-77-6 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00007817 InChI Key: OJZQOQNSUZLSMV-UHFFFAOYSA-N Synonym: 3-aminobenzyl alcohol,3-aminophenyl methanol,m-aminobenzyl alcohol,3-aminobenzylalcohol,3-hydroxymethyl aniline,benzenemethanol, 3-amino,benzyl alcohol, m-amino,3-aminobenzenemethanol,unii-kn96abq0sp,m-aminophenylcarbinol PubChem CID: 80293 IUPAC Name: (3-aminophenyl)methanol SMILES: NC1=CC=CC(CO)=C1
| PubChem CID | 80293 |
|---|---|
| CAS | 1877-77-6 |
| Molecular Weight (g/mol) | 123.16 |
| MDL Number | MFCD00007817 |
| SMILES | NC1=CC=CC(CO)=C1 |
| Synonym | 3-aminobenzyl alcohol,3-aminophenyl methanol,m-aminobenzyl alcohol,3-aminobenzylalcohol,3-hydroxymethyl aniline,benzenemethanol, 3-amino,benzyl alcohol, m-amino,3-aminobenzenemethanol,unii-kn96abq0sp,m-aminophenylcarbinol |
| IUPAC Name | (3-aminophenyl)methanol |
| InChI Key | OJZQOQNSUZLSMV-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
Thermo Scientific Chemicals Salbutamol hemisulfate, 98%
CAS: 51022-70-9 Molecular Formula: C13H21NO3·1/2H2SO4 Molecular Weight (g/mol): 288.35 InChI Key: OVICLFZZVQVVFT-UHFFFAOYSA-N Synonym: salbutamol sulfate,albuterol sulfate,ventolin,ventorlin,4-2-tert-butylamino-1-hydroxyethyl-2-hydroxymethyl phenol sulfate,asthavent,albuterol sulfate 1:x,salbutamol; sulfuric acid,asmaven sulfate,2-tert-butylamino-1-4-hydroxy-3-hydroxymethylphenyl ethanol hemisulfate PubChem CID: 9884233 IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid SMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O
| PubChem CID | 9884233 |
|---|---|
| CAS | 51022-70-9 |
| Molecular Weight (g/mol) | 288.35 |
| SMILES | CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O |
| Synonym | salbutamol sulfate,albuterol sulfate,ventolin,ventorlin,4-2-tert-butylamino-1-hydroxyethyl-2-hydroxymethyl phenol sulfate,asthavent,albuterol sulfate 1:x,salbutamol; sulfuric acid,asmaven sulfate,2-tert-butylamino-1-4-hydroxy-3-hydroxymethylphenyl ethanol hemisulfate |
| IUPAC Name | 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid |
| InChI Key | OVICLFZZVQVVFT-UHFFFAOYSA-N |
| Molecular Formula | C13H21NO3·1/2H2SO4 |
4-Iodophenylacetonitrile, 97%
CAS: 51628-12-7 Molecular Formula: C8H6IN Molecular Weight (g/mol): 243.047 MDL Number: MFCD00060306 InChI Key: PNXWQTYSBFGIFD-UHFFFAOYSA-N Synonym: 4-iodophenylacetonitrile,2-4-iodophenyl acetonitrile,4-iodobenzyl cyanide,4-iodophenyl acetonitrile,benzeneacetonitrile, 4-iodo,p-iodobenzylcyanide,pubchem19992,acmc-1asuk,4-cyanomethyl phenyl iodide,4-iodo-phenyl-acetonitrile PubChem CID: 142866 IUPAC Name: 2-(4-iodophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)I
| PubChem CID | 142866 |
|---|---|
| CAS | 51628-12-7 |
| Molecular Weight (g/mol) | 243.047 |
| MDL Number | MFCD00060306 |
| SMILES | C1=CC(=CC=C1CC#N)I |
| Synonym | 4-iodophenylacetonitrile,2-4-iodophenyl acetonitrile,4-iodobenzyl cyanide,4-iodophenyl acetonitrile,benzeneacetonitrile, 4-iodo,p-iodobenzylcyanide,pubchem19992,acmc-1asuk,4-cyanomethyl phenyl iodide,4-iodo-phenyl-acetonitrile |
| IUPAC Name | 2-(4-iodophenyl)acetonitrile |
| InChI Key | PNXWQTYSBFGIFD-UHFFFAOYSA-N |
| Molecular Formula | C8H6IN |