Benzene and substituted derivatives
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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 |
2-Bromophenylacetonitrile, 97%
CAS: 19472-74-3 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00001896 InChI Key: BVCOJESIQPNOIF-UHFFFAOYSA-N Synonym: 2-bromophenylacetonitrile,2-bromobenzyl cyanide,2-2-bromophenyl acetonitrile,o-bromobenzyl cyanide,2-bromophenyl acetonitrile,o-bromophenylacetonitrile,benzeneacetonitrile, bromo,2-2-bromophenyl ethanenitrile,benzeneacetonitrile, 2-bromo,2-bromo-phenyl-acetonitrile PubChem CID: 29625 IUPAC Name: 2-(2-bromophenyl)acetonitrile SMILES: BrC1=CC=CC=C1CC#N
| PubChem CID | 29625 |
|---|---|
| CAS | 19472-74-3 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD00001896 |
| SMILES | BrC1=CC=CC=C1CC#N |
| Synonym | 2-bromophenylacetonitrile,2-bromobenzyl cyanide,2-2-bromophenyl acetonitrile,o-bromobenzyl cyanide,2-bromophenyl acetonitrile,o-bromophenylacetonitrile,benzeneacetonitrile, bromo,2-2-bromophenyl ethanenitrile,benzeneacetonitrile, 2-bromo,2-bromo-phenyl-acetonitrile |
| IUPAC Name | 2-(2-bromophenyl)acetonitrile |
| InChI Key | BVCOJESIQPNOIF-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN |
(1S,2S)-(+)-2-Benzyloxycyclohexyl isothiocyanate, 97%
CAS: 737000-89-4 Molecular Formula: C14H17NOS Molecular Weight (g/mol): 247.356 MDL Number: MFCD05664047 InChI Key: DNRPSBSMXLYTQF-KBPBESRZSA-N Synonym: 1s,2s-+-2-benzyloxycyclohexyl isothiocyanate,1s,2s-2-isothiocyanatocyclohexyl oxy methyl benzene,1s,2s-2-phenylmethoxy cyclohexanisothiocyanate PubChem CID: 11863573 IUPAC Name: [(1S,2S)-2-isothiocyanatocyclohexyl]oxymethylbenzene SMILES: C1CCC(C(C1)N=C=S)OCC2=CC=CC=C2
| PubChem CID | 11863573 |
|---|---|
| CAS | 737000-89-4 |
| Molecular Weight (g/mol) | 247.356 |
| MDL Number | MFCD05664047 |
| SMILES | C1CCC(C(C1)N=C=S)OCC2=CC=CC=C2 |
| Synonym | 1s,2s-+-2-benzyloxycyclohexyl isothiocyanate,1s,2s-2-isothiocyanatocyclohexyl oxy methyl benzene,1s,2s-2-phenylmethoxy cyclohexanisothiocyanate |
| IUPAC Name | [(1S,2S)-2-isothiocyanatocyclohexyl]oxymethylbenzene |
| InChI Key | DNRPSBSMXLYTQF-KBPBESRZSA-N |
| Molecular Formula | C14H17NOS |
4-Bromobenzyl chloride, 98%
CAS: 589-17-3 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.48 MDL Number: MFCD00040867 InChI Key: BSIIGUGKOPPTPZ-UHFFFAOYSA-N Synonym: 1-bromo-4-chloromethyl benzene,4-bromobenzyl chloride,p-bromobenzyl chloride,4-bromobenzylchloride,4-bromo-alpha-chlorotoluene,benzene, 1-bromo-4-chloromethyl,ccris 5105,p-bromo-alpha-chlorotoluene,pubchem2478,4-bromo-benzylchloride PubChem CID: 68528 IUPAC Name: 1-bromo-4-(chloromethyl)benzene SMILES: ClCC1=CC=C(Br)C=C1
| PubChem CID | 68528 |
|---|---|
| CAS | 589-17-3 |
| Molecular Weight (g/mol) | 205.48 |
| MDL Number | MFCD00040867 |
| SMILES | ClCC1=CC=C(Br)C=C1 |
| Synonym | 1-bromo-4-chloromethyl benzene,4-bromobenzyl chloride,p-bromobenzyl chloride,4-bromobenzylchloride,4-bromo-alpha-chlorotoluene,benzene, 1-bromo-4-chloromethyl,ccris 5105,p-bromo-alpha-chlorotoluene,pubchem2478,4-bromo-benzylchloride |
| IUPAC Name | 1-bromo-4-(chloromethyl)benzene |
| InChI Key | BSIIGUGKOPPTPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrCl |
4-Hydroxy-3-methoxybenzyl alcohol, 99%
CAS: 498-00-0 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00004659 InChI Key: ZENOXNGFMSCLLL-UHFFFAOYSA-N Synonym: vanillyl alcohol,4-hydroxy-3-methoxybenzyl alcohol,4-hydroxymethyl-2-methoxyphenol,vanillin alcohol,vanillic alcohol,4-hydroxy-3-methoxybenzenemethanol,benzenemethanol, 4-hydroxy-3-methoxy,vanillol,4-hydroxy-3-methoxybenzylalcohol,4-hydroxy-3-methoxyphenylmethanol PubChem CID: 62348 ChEBI: CHEBI:18353 IUPAC Name: 4-(hydroxymethyl)-2-methoxyphenol SMILES: COC1=CC(CO)=CC=C1O
| PubChem CID | 62348 |
|---|---|
| CAS | 498-00-0 |
| Molecular Weight (g/mol) | 154.17 |
| ChEBI | CHEBI:18353 |
| MDL Number | MFCD00004659 |
| SMILES | COC1=CC(CO)=CC=C1O |
| Synonym | vanillyl alcohol,4-hydroxy-3-methoxybenzyl alcohol,4-hydroxymethyl-2-methoxyphenol,vanillin alcohol,vanillic alcohol,4-hydroxy-3-methoxybenzenemethanol,benzenemethanol, 4-hydroxy-3-methoxy,vanillol,4-hydroxy-3-methoxybenzylalcohol,4-hydroxy-3-methoxyphenylmethanol |
| IUPAC Name | 4-(hydroxymethyl)-2-methoxyphenol |
| InChI Key | ZENOXNGFMSCLLL-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3 |
3-Bromo-2-fluorobenzyl bromide, 97%, Thermo Scientific Chemicals
CAS: 149947-16-0 Molecular Formula: C7H5Br2F Molecular Weight (g/mol): 267.923 MDL Number: MFCD09842442 InChI Key: MGVHFTWDCYIBDO-UHFFFAOYSA-N PubChem CID: 18989440 IUPAC Name: 1-bromo-3-(bromomethyl)-2-fluorobenzene SMILES: C1=CC(=C(C(=C1)Br)F)CBr
| PubChem CID | 18989440 |
|---|---|
| CAS | 149947-16-0 |
| Molecular Weight (g/mol) | 267.923 |
| MDL Number | MFCD09842442 |
| SMILES | C1=CC(=C(C(=C1)Br)F)CBr |
| IUPAC Name | 1-bromo-3-(bromomethyl)-2-fluorobenzene |
| InChI Key | MGVHFTWDCYIBDO-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br2F |
4-(Chloromethyl)-1,2-diphenylethane, 98%
CAS: 80676-35-3 Molecular Formula: C15H15Cl Molecular Weight (g/mol): 230.74 MDL Number: MFCD02093918 InChI Key: KPTSLALCCGBCOB-UHFFFAOYSA-N Synonym: 4-chloromethyl dibenzyl,1-chloromethyl-4-phenethylbenzene,4-chloromethyl-1,2-diphenylethane,1-chloromethyl-4-2-phenylethyl benzene,4-chloromethyl bibenzyl,4-phenethylbenzyl chloride PubChem CID: 2733990 IUPAC Name: 1-(chloromethyl)-4-(2-phenylethyl)benzene SMILES: ClCC1=CC=C(CCC2=CC=CC=C2)C=C1
| PubChem CID | 2733990 |
|---|---|
| CAS | 80676-35-3 |
| Molecular Weight (g/mol) | 230.74 |
| MDL Number | MFCD02093918 |
| SMILES | ClCC1=CC=C(CCC2=CC=CC=C2)C=C1 |
| Synonym | 4-chloromethyl dibenzyl,1-chloromethyl-4-phenethylbenzene,4-chloromethyl-1,2-diphenylethane,1-chloromethyl-4-2-phenylethyl benzene,4-chloromethyl bibenzyl,4-phenethylbenzyl chloride |
| IUPAC Name | 1-(chloromethyl)-4-(2-phenylethyl)benzene |
| InChI Key | KPTSLALCCGBCOB-UHFFFAOYSA-N |
| Molecular Formula | C15H15Cl |
4-Bromomethyl-2'-fluorobiphenyl, 97%
CAS: 193013-76-2 Molecular Formula: C13H10BrF Molecular Weight (g/mol): 265.125 MDL Number: MFCD15146811 InChI Key: SAUALJYDYRRWPW-UHFFFAOYSA-N Synonym: 4'-bromomethyl-2-fluoro-1,1'-biphenyl,4-bromomethyl-2'-fluorobiphenyl,2-fluoro-4'-bromomethylbiphenyl PubChem CID: 18680932 IUPAC Name: 1-(bromomethyl)-4-(2-fluorophenyl)benzene SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)CBr)F
| PubChem CID | 18680932 |
|---|---|
| CAS | 193013-76-2 |
| Molecular Weight (g/mol) | 265.125 |
| MDL Number | MFCD15146811 |
| SMILES | C1=CC=C(C(=C1)C2=CC=C(C=C2)CBr)F |
| Synonym | 4'-bromomethyl-2-fluoro-1,1'-biphenyl,4-bromomethyl-2'-fluorobiphenyl,2-fluoro-4'-bromomethylbiphenyl |
| IUPAC Name | 1-(bromomethyl)-4-(2-fluorophenyl)benzene |
| InChI Key | SAUALJYDYRRWPW-UHFFFAOYSA-N |
| Molecular Formula | C13H10BrF |
3,5-Dibromobenzyl bromide, 99%
CAS: 56908-88-4 Molecular Formula: C7H5Br3 Molecular Weight (g/mol): 328.83 MDL Number: MFCD00052415 InChI Key: PWTFRUXTAFBWBW-UHFFFAOYSA-N Synonym: 3,5-dibromobenzyl bromide,1,3-dibromo-5-bromomethyl benzene,benzene, 1,3-dibromo-5-bromomethyl,alpha,3,5-tribromotoluene,acmc-20andg,3,5-dibromobenzylbromide,3,5-dibromo benzyl bromide,1,3-bis bromanyl-5-bromomethyl benzene PubChem CID: 143427 IUPAC Name: 1,3-dibromo-5-(bromomethyl)benzene SMILES: BrCC1=CC(Br)=CC(Br)=C1
| PubChem CID | 143427 |
|---|---|
| CAS | 56908-88-4 |
| Molecular Weight (g/mol) | 328.83 |
| MDL Number | MFCD00052415 |
| SMILES | BrCC1=CC(Br)=CC(Br)=C1 |
| Synonym | 3,5-dibromobenzyl bromide,1,3-dibromo-5-bromomethyl benzene,benzene, 1,3-dibromo-5-bromomethyl,alpha,3,5-tribromotoluene,acmc-20andg,3,5-dibromobenzylbromide,3,5-dibromo benzyl bromide,1,3-bis bromanyl-5-bromomethyl benzene |
| IUPAC Name | 1,3-dibromo-5-(bromomethyl)benzene |
| InChI Key | PWTFRUXTAFBWBW-UHFFFAOYSA-N |
| Molecular Formula | C7H5Br3 |
3,4,5-Trimethoxybenzyl alcohol, 98%
CAS: 3840-31-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00004639 InChI Key: QPHLRCUCFDXGLY-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxybenzyl alcohol,3,4,5-trimethoxyphenyl methanol,benzenemethanol, 3,4,5-trimethoxy,3,4,5-trimethoxybenzylalcohol,3,4,5-trimethoxybenzylic alcohol,benzyl alcohol, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methan-1-ol,acmc-1cp7y,3,4,5-trimethoxybenzalcohol,ksc494s0n PubChem CID: 77449 IUPAC Name: (3,4,5-trimethoxyphenyl)methanol SMILES: COC1=CC(=CC(=C1OC)OC)CO
| PubChem CID | 77449 |
|---|---|
| CAS | 3840-31-1 |
| Molecular Weight (g/mol) | 198.218 |
| MDL Number | MFCD00004639 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CO |
| Synonym | 3,4,5-trimethoxybenzyl alcohol,3,4,5-trimethoxyphenyl methanol,benzenemethanol, 3,4,5-trimethoxy,3,4,5-trimethoxybenzylalcohol,3,4,5-trimethoxybenzylic alcohol,benzyl alcohol, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methan-1-ol,acmc-1cp7y,3,4,5-trimethoxybenzalcohol,ksc494s0n |
| IUPAC Name | (3,4,5-trimethoxyphenyl)methanol |
| InChI Key | QPHLRCUCFDXGLY-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |
N-Boc-O-benzyl-L-threonine, 99%
CAS: 15260-10-3 Molecular Formula: C16H23NO5 Molecular Weight (g/mol): 309.36 MDL Number: MFCD00066062 InChI Key: CTXPLTPDOISPTE-YPMHNXCESA-N Synonym: boc-thr bzl-oh,boc-o-benzyl-l-threonine,n-tert-butoxycarbonyl-o-benzyl-l-threonine,n-boc-o-benzyl-l-threonine,boc-thr bzl,o-benzyl-n-tert-butoxycarbonyl-l-threonine,n-1,1-dimethylethoxy carbonyl-o-phenylmethyl-l-threonine,l-threonine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl,2s,3r-2-2-methylpropan-2-yl oxycarbonylamino-3-phenylmethoxybutanoic acid PubChem CID: 1549483 IUPAC Name: (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybutanoic acid SMILES: C[C@@H](OCC1=CC=CC=C1)[C@H](NC(=O)OC(C)(C)C)C(O)=O
| PubChem CID | 1549483 |
|---|---|
| CAS | 15260-10-3 |
| Molecular Weight (g/mol) | 309.36 |
| MDL Number | MFCD00066062 |
| SMILES | C[C@@H](OCC1=CC=CC=C1)[C@H](NC(=O)OC(C)(C)C)C(O)=O |
| Synonym | boc-thr bzl-oh,boc-o-benzyl-l-threonine,n-tert-butoxycarbonyl-o-benzyl-l-threonine,n-boc-o-benzyl-l-threonine,boc-thr bzl,o-benzyl-n-tert-butoxycarbonyl-l-threonine,n-1,1-dimethylethoxy carbonyl-o-phenylmethyl-l-threonine,l-threonine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl,2s,3r-2-2-methylpropan-2-yl oxycarbonylamino-3-phenylmethoxybutanoic acid |
| IUPAC Name | (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybutanoic acid |
| InChI Key | CTXPLTPDOISPTE-YPMHNXCESA-N |
| Molecular Formula | C16H23NO5 |
4-Bromo-3-hydroxybenzyl alcohol, 95%, Thermo Scientific Chemicals
CAS: 2737-19-1 Molecular Formula: C7H7BrO2 Molecular Weight (g/mol): 203.04 MDL Number: MFCD14705103 InChI Key: JYYCVESONPFMEW-UHFFFAOYSA-N PubChem CID: 13551344 IUPAC Name: 2-bromo-5-(hydroxymethyl)phenol SMILES: OCC1=CC(O)=C(Br)C=C1
| PubChem CID | 13551344 |
|---|---|
| CAS | 2737-19-1 |
| Molecular Weight (g/mol) | 203.04 |
| MDL Number | MFCD14705103 |
| SMILES | OCC1=CC(O)=C(Br)C=C1 |
| IUPAC Name | 2-bromo-5-(hydroxymethyl)phenol |
| InChI Key | JYYCVESONPFMEW-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO2 |
alpha-Bromo-2,3,4,5,6-pentafluorotoluene, 97%
CAS: 1765-40-8 MDL Number: MFCD00000299 InChI Key: XDEPVFFKOVDUNO-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzyl bromide,pentafluorobenzyl bromide,1-bromomethyl-2,3,4,5,6-pentafluorobenzene,1-bromomethylpentafluorobenzene,alpha-bromo-2,3,4,5,6-pentafluorotoluene,bromomethyl pentafluorobenzene,benzene, bromomethyl pentafluoro,2,3,4,5,6-pentafluorobenzylbromide,pfbbr,pentafluorobenzylbromide PubChem CID: 74484 IUPAC Name: 1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)Br
| PubChem CID | 74484 |
|---|---|
| CAS | 1765-40-8 |
| MDL Number | MFCD00000299 |
| SMILES | C(C1=C(C(=C(C(=C1F)F)F)F)F)Br |
| Synonym | 2,3,4,5,6-pentafluorobenzyl bromide,pentafluorobenzyl bromide,1-bromomethyl-2,3,4,5,6-pentafluorobenzene,1-bromomethylpentafluorobenzene,alpha-bromo-2,3,4,5,6-pentafluorotoluene,bromomethyl pentafluorobenzene,benzene, bromomethyl pentafluoro,2,3,4,5,6-pentafluorobenzylbromide,pfbbr,pentafluorobenzylbromide |
| IUPAC Name | 1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene |
| InChI Key | XDEPVFFKOVDUNO-UHFFFAOYSA-N |
3-Bromobenzyl bromide, 99%
CAS: 823-78-9 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.933 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) | 249.933 |
| 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 |
3,5-Dimethylbenzyl bromide, 98%
CAS: 27129-86-8 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00013539 InChI Key: QXDHXCVJGBTQMK-UHFFFAOYSA-N Synonym: 3,5-dimethylbenzyl bromide,1-bromomethyl-3,5-dimethylbenzene,3,5-dimethylbenzylbromide,alpha-bromomesitylene,benzene, 1-bromomethyl-3,5-dimethyl,.alpha.-bromomesitylene,5-bromomethyl-1,3-dimethylbenzene,a-bromomesitylene,pubchem9979,3,5dimethylbenzyl bromide PubChem CID: 141334 IUPAC Name: 1-(bromomethyl)-3,5-dimethylbenzene SMILES: CC1=CC(=CC(=C1)CBr)C
| PubChem CID | 141334 |
|---|---|
| CAS | 27129-86-8 |
| Molecular Weight (g/mol) | 199.091 |
| MDL Number | MFCD00013539 |
| SMILES | CC1=CC(=CC(=C1)CBr)C |
| Synonym | 3,5-dimethylbenzyl bromide,1-bromomethyl-3,5-dimethylbenzene,3,5-dimethylbenzylbromide,alpha-bromomesitylene,benzene, 1-bromomethyl-3,5-dimethyl,.alpha.-bromomesitylene,5-bromomethyl-1,3-dimethylbenzene,a-bromomesitylene,pubchem9979,3,5dimethylbenzyl bromide |
| IUPAC Name | 1-(bromomethyl)-3,5-dimethylbenzene |
| InChI Key | QXDHXCVJGBTQMK-UHFFFAOYSA-N |
| Molecular Formula | C9H11Br |