Benzene and substituted derivatives
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Nalpha-Benzoyl-L-arginine Ethyl Ester Hydrochloride 98.0+%, TCI America™
CAS: 2645-08-1 Molecular Formula: C15H23ClN4O3 Molecular Weight (g/mol): 342.82 MDL Number: MFCD00012579 InChI Key: HIXDELXKSSLIKB-UHFFFAOYNA-N Synonym: bz-arg-oet.hcl,n-alpha-benzoyl-l-arginine ethyl ester hydrochloride,ethyl n-benzoyl-l-argininate hydrochloride,baee,nalpha-benzoyl-l-arginine ethyl ester hydrochloride,l-baee,l-arginine, n2-benzoyl-, ethyl ester, monohydrochloride,n-benzoyl-l-arginine ethyl ester hydrochloride,ethyl n2-benzoyl-l-argininate monohydrochloride,ethyl 2s-5-carbamimidamido-2-phenylformamido pentanoate hydrochloride PubChem CID: 2723604 IUPAC Name: ethyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate;hydrochloride SMILES: CCOC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=CC=C1.Cl
| PubChem CID | 2723604 |
|---|---|
| CAS | 2645-08-1 |
| Molecular Weight (g/mol) | 342.82 |
| MDL Number | MFCD00012579 |
| SMILES | CCOC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=CC=C1.Cl |
| Synonym | bz-arg-oet.hcl,n-alpha-benzoyl-l-arginine ethyl ester hydrochloride,ethyl n-benzoyl-l-argininate hydrochloride,baee,nalpha-benzoyl-l-arginine ethyl ester hydrochloride,l-baee,l-arginine, n2-benzoyl-, ethyl ester, monohydrochloride,n-benzoyl-l-arginine ethyl ester hydrochloride,ethyl n2-benzoyl-l-argininate monohydrochloride,ethyl 2s-5-carbamimidamido-2-phenylformamido pentanoate hydrochloride |
| IUPAC Name | ethyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate;hydrochloride |
| InChI Key | HIXDELXKSSLIKB-UHFFFAOYNA-N |
| Molecular Formula | C15H23ClN4O3 |
Benzyltriphenylphosphonium Chloride 98.0+%, TCI America™
CAS: 1100-88-5 Molecular Formula: C25H22ClP Molecular Weight (g/mol): 388.87 MDL Number: MFCD00011913 InChI Key: USFRYJRPHFMVBZ-UHFFFAOYSA-M Synonym: benzyltriphenylphosphonium chloride,triphenylbenzylphosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride,benzyltriphenylphosphanium chloride,benzyl triphenylphosphonium chloride,benzyl-triphenyl-phosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride 1:1,triphenylbenzylphosphine, chloride,benzyl triphenyl phosphoniumchlorid PubChem CID: 70671 IUPAC Name: benzyltriphenylphosphanium chloride SMILES: [Cl-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 70671 |
|---|---|
| CAS | 1100-88-5 |
| Molecular Weight (g/mol) | 388.87 |
| MDL Number | MFCD00011913 |
| SMILES | [Cl-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | benzyltriphenylphosphonium chloride,triphenylbenzylphosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride,benzyltriphenylphosphanium chloride,benzyl triphenylphosphonium chloride,benzyl-triphenyl-phosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride 1:1,triphenylbenzylphosphine, chloride,benzyl triphenyl phosphoniumchlorid |
| IUPAC Name | benzyltriphenylphosphanium chloride |
| InChI Key | USFRYJRPHFMVBZ-UHFFFAOYSA-M |
| Molecular Formula | C25H22ClP |
2-Bromo-1,3-bis(bromomethyl)benzene 98.0+%, TCI America™
CAS: 25006-88-6 Molecular Formula: C8H7Br3 Molecular Weight (g/mol): 342.86 MDL Number: MFCD00229246 InChI Key: HSYMWXREIPJGHX-UHFFFAOYSA-N PubChem CID: 621912 IUPAC Name: 2-bromo-1,3-bis(bromomethyl)benzene SMILES: BrCC1=CC=CC(CBr)=C1Br
| PubChem CID | 621912 |
|---|---|
| CAS | 25006-88-6 |
| Molecular Weight (g/mol) | 342.86 |
| MDL Number | MFCD00229246 |
| SMILES | BrCC1=CC=CC(CBr)=C1Br |
| IUPAC Name | 2-bromo-1,3-bis(bromomethyl)benzene |
| InChI Key | HSYMWXREIPJGHX-UHFFFAOYSA-N |
| Molecular Formula | C8H7Br3 |
2-Fluorobenzyl Bromide 98.0+%, TCI America™
CAS: 446-48-0 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00000324 InChI Key: FFWQLZFIMNTUCZ-UHFFFAOYSA-N Synonym: 2-fluorobenzyl bromide,1-bromomethyl-2-fluorobenzene,2-fluorobenzylbromide,o-fluorobenzyl bromide,alpha-bromo-o-fluorotoluene,alpha-bromo-2-fluorotoluene,2-fluoro-benzyl bromide,1-bromomethyl-2-fluoro-benzene,benzene, 1-bromomethyl-2-fluoro,2-fluoro-benzylbromide PubChem CID: 67968 IUPAC Name: 1-(bromomethyl)-2-fluorobenzene SMILES: C1=CC=C(C(=C1)CBr)F
| PubChem CID | 67968 |
|---|---|
| CAS | 446-48-0 |
| Molecular Weight (g/mol) | 189.027 |
| MDL Number | MFCD00000324 |
| SMILES | C1=CC=C(C(=C1)CBr)F |
| Synonym | 2-fluorobenzyl bromide,1-bromomethyl-2-fluorobenzene,2-fluorobenzylbromide,o-fluorobenzyl bromide,alpha-bromo-o-fluorotoluene,alpha-bromo-2-fluorotoluene,2-fluoro-benzyl bromide,1-bromomethyl-2-fluoro-benzene,benzene, 1-bromomethyl-2-fluoro,2-fluoro-benzylbromide |
| IUPAC Name | 1-(bromomethyl)-2-fluorobenzene |
| InChI Key | FFWQLZFIMNTUCZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrF |
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide 98.0+%, TCI America™
CAS: 377780-72-8 Molecular Formula: C13H18BBrO2 Molecular Weight (g/mol): 296.999 MDL Number: MFCD01632210 InChI Key: ROIXSNLOYHDYBP-UHFFFAOYSA-N Synonym: 2-2-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-bromomethylphenylboronic acid pinacol ester,2-bromomethyl benzeneboronic acid, pinacol ester,2-bromomethylphenylboronic acid, pinacol ester,2-bromomethyl benzeneboronic acid pinacol ester,2-bromomethylphenyl boronic acid, pinacol ester,amtb373,2-bromomethyl phenylboronic pinacol ester,2-bromoethylphenylboronic acid pinacol ester PubChem CID: 3834834 IUPAC Name: 2-[2-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CBr
| PubChem CID | 3834834 |
|---|---|
| CAS | 377780-72-8 |
| Molecular Weight (g/mol) | 296.999 |
| MDL Number | MFCD01632210 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CBr |
| Synonym | 2-2-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-bromomethylphenylboronic acid pinacol ester,2-bromomethyl benzeneboronic acid, pinacol ester,2-bromomethylphenylboronic acid, pinacol ester,2-bromomethyl benzeneboronic acid pinacol ester,2-bromomethylphenyl boronic acid, pinacol ester,amtb373,2-bromomethyl phenylboronic pinacol ester,2-bromoethylphenylboronic acid pinacol ester |
| IUPAC Name | 2-[2-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | ROIXSNLOYHDYBP-UHFFFAOYSA-N |
| Molecular Formula | C13H18BBrO2 |
Benzyl Glycidyl Ether 97.0+%, TCI America™
CAS: 2930-05-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00068664 InChI Key: QNYBOILAKBSWFG-UHFFFAOYNA-N Synonym: 1-Benzyloxy-2,3-epoxypropane, 2-(Benzyloxymethyl)oxirane PubChem CID: 94247 IUPAC Name: 2-(phenylmethoxymethyl)oxirane SMILES: C1C(O1)COCC2=CC=CC=C2
| PubChem CID | 94247 |
|---|---|
| CAS | 2930-05-4 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00068664 |
| SMILES | C1C(O1)COCC2=CC=CC=C2 |
| Synonym | 1-Benzyloxy-2,3-epoxypropane, 2-(Benzyloxymethyl)oxirane |
| IUPAC Name | 2-(phenylmethoxymethyl)oxirane |
| InChI Key | QNYBOILAKBSWFG-UHFFFAOYNA-N |
| Molecular Formula | C10H12O2 |
4-Butylbenzyl Bromide 97.0+%, TCI America™
CAS: 10531-16-5 Molecular Formula: C11H15Br Molecular Weight (g/mol): 227.145 InChI Key: XNQBGVFFKGZXJH-UHFFFAOYSA-N PubChem CID: 12150840 IUPAC Name: 1-(bromomethyl)-4-butylbenzene SMILES: CCCCC1=CC=C(C=C1)CBr
| PubChem CID | 12150840 |
|---|---|
| CAS | 10531-16-5 |
| Molecular Weight (g/mol) | 227.145 |
| SMILES | CCCCC1=CC=C(C=C1)CBr |
| IUPAC Name | 1-(bromomethyl)-4-butylbenzene |
| InChI Key | XNQBGVFFKGZXJH-UHFFFAOYSA-N |
| Molecular Formula | C11H15Br |
(S)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane 98.0+%, TCI America™
CAS: 16495-03-7 Molecular Formula: C13H18O3 Molecular Weight (g/mol): 222.284 MDL Number: MFCD00043000 InChI Key: DBFDSKSLTCMIPB-LBPRGKRZSA-N PubChem CID: 10878747 IUPAC Name: (4S)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane SMILES: CC1(OCC(O1)COCC2=CC=CC=C2)C
| PubChem CID | 10878747 |
|---|---|
| CAS | 16495-03-7 |
| Molecular Weight (g/mol) | 222.284 |
| MDL Number | MFCD00043000 |
| SMILES | CC1(OCC(O1)COCC2=CC=CC=C2)C |
| IUPAC Name | (4S)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxolane |
| InChI Key | DBFDSKSLTCMIPB-LBPRGKRZSA-N |
| Molecular Formula | C13H18O3 |
Hexakis(bromomethyl)benzene 98.0+%, TCI America™
CAS: 3095-73-6 Molecular Formula: C12H12Br6 Molecular Weight (g/mol): 635.652 MDL Number: MFCD00182539 InChI Key: XJOUCILNLRXRTF-UHFFFAOYSA-N Synonym: hexakis bromomethyl benzene,hexa bromomethyl benzene,1,2,3,4,5,6-hexakis bromomethyl benzene,benzene, hexakis bromomethyl,acmc-1aijn,10.14272/xjoucilnlrxrtf-uhfffaoysa-n,benzene,1,2,3,4,5,6-hexakis bromomethyl,doi:10.14272/xjoucilnlrxrtf-uhfffaoysa-n PubChem CID: 76540 IUPAC Name: 1,2,3,4,5,6-hexakis(bromomethyl)benzene SMILES: C(C1=C(C(=C(C(=C1CBr)CBr)CBr)CBr)CBr)Br
| PubChem CID | 76540 |
|---|---|
| CAS | 3095-73-6 |
| Molecular Weight (g/mol) | 635.652 |
| MDL Number | MFCD00182539 |
| SMILES | C(C1=C(C(=C(C(=C1CBr)CBr)CBr)CBr)CBr)Br |
| Synonym | hexakis bromomethyl benzene,hexa bromomethyl benzene,1,2,3,4,5,6-hexakis bromomethyl benzene,benzene, hexakis bromomethyl,acmc-1aijn,10.14272/xjoucilnlrxrtf-uhfffaoysa-n,benzene,1,2,3,4,5,6-hexakis bromomethyl,doi:10.14272/xjoucilnlrxrtf-uhfffaoysa-n |
| IUPAC Name | 1,2,3,4,5,6-hexakis(bromomethyl)benzene |
| InChI Key | XJOUCILNLRXRTF-UHFFFAOYSA-N |
| Molecular Formula | C12H12Br6 |
alpha,alpha'-Dichloro-m-xylene 96.0+%, TCI America™
CAS: 626-16-4 Molecular Formula: C8H8Cl2 Molecular Weight (g/mol): 175.052 MDL Number: MFCD00000912 InChI Key: GRJWOKACBGZOKT-UHFFFAOYSA-N Synonym: 1,3-bis chloromethyl benzene,alpha,alpha'-dichloro-m-xylene,m-xylylene dichloride,benzene, 1,3-bis chloromethyl,m-bis chloromethyl benzene,m-xylylene chloride,m-dichloroxylene,benzene, 1,3-dichloromethyl,ccris 1774,m-xylene, .alpha.,.alpha.'-dichloro PubChem CID: 12275 IUPAC Name: 1,3-bis(chloromethyl)benzene SMILES: C1=CC(=CC(=C1)CCl)CCl
| PubChem CID | 12275 |
|---|---|
| CAS | 626-16-4 |
| Molecular Weight (g/mol) | 175.052 |
| MDL Number | MFCD00000912 |
| SMILES | C1=CC(=CC(=C1)CCl)CCl |
| Synonym | 1,3-bis chloromethyl benzene,alpha,alpha'-dichloro-m-xylene,m-xylylene dichloride,benzene, 1,3-bis chloromethyl,m-bis chloromethyl benzene,m-xylylene chloride,m-dichloroxylene,benzene, 1,3-dichloromethyl,ccris 1774,m-xylene, .alpha.,.alpha.'-dichloro |
| IUPAC Name | 1,3-bis(chloromethyl)benzene |
| InChI Key | GRJWOKACBGZOKT-UHFFFAOYSA-N |
| Molecular Formula | C8H8Cl2 |
3-Methoxyphenylacetonitrile 98.0+%, TCI America™
CAS: 19924-43-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00001910 InChI Key: LXKNAUOWEJWGTE-UHFFFAOYSA-N Synonym: 3-methoxyphenyl acetonitrile,2-3-methoxyphenyl acetonitrile,3-methoxyphenylacetonitrile,3-methoxybenzyl cyanide,m-methoxyphenyl acetonitrile,3-cyanomethyl anisole,benzeneacetonitrile, 3-methoxy,3-methoxybenzeneacetonitrile,m-methoxybenzyl cyanide,2-3-methoxyphenyl ethanenitrile PubChem CID: 88310 IUPAC Name: 2-(3-methoxyphenyl)acetonitrile SMILES: COC1=CC=CC(=C1)CC#N
| PubChem CID | 88310 |
|---|---|
| CAS | 19924-43-7 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00001910 |
| SMILES | COC1=CC=CC(=C1)CC#N |
| Synonym | 3-methoxyphenyl acetonitrile,2-3-methoxyphenyl acetonitrile,3-methoxyphenylacetonitrile,3-methoxybenzyl cyanide,m-methoxyphenyl acetonitrile,3-cyanomethyl anisole,benzeneacetonitrile, 3-methoxy,3-methoxybenzeneacetonitrile,m-methoxybenzyl cyanide,2-3-methoxyphenyl ethanenitrile |
| IUPAC Name | 2-(3-methoxyphenyl)acetonitrile |
| InChI Key | LXKNAUOWEJWGTE-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
2-Chloro-5-nitrobenzyl Alcohol 98.0+%, TCI America™
CAS: 80866-80-4 Molecular Formula: C7H6ClNO3 Molecular Weight (g/mol): 187.579 MDL Number: MFCD00007297 InChI Key: NNLQYDLTFRXAKD-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrophenyl methanol,2-chloro-5-nitrobenzyl alcohol,2-chloro-5-nitrobenzylalcohol,benzenemethanol, 2-chloro-5-nitro,acmc-1bkf2,nnlqydltfrxakd-uhfffaoysa,benzenemethanol,2-chloro-5-nitro,2-chloro-5-nitro-phenyl-methanol,2-chloro-5-nitrophenyl methanol #,2-chloro-5-nitrophenyl methan-1-ol PubChem CID: 555722 IUPAC Name: (2-chloro-5-nitrophenyl)methanol SMILES: C1=CC(=C(C=C1[N+](=O)[O-])CO)Cl
| PubChem CID | 555722 |
|---|---|
| CAS | 80866-80-4 |
| Molecular Weight (g/mol) | 187.579 |
| MDL Number | MFCD00007297 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])CO)Cl |
| Synonym | 2-chloro-5-nitrophenyl methanol,2-chloro-5-nitrobenzyl alcohol,2-chloro-5-nitrobenzylalcohol,benzenemethanol, 2-chloro-5-nitro,acmc-1bkf2,nnlqydltfrxakd-uhfffaoysa,benzenemethanol,2-chloro-5-nitro,2-chloro-5-nitro-phenyl-methanol,2-chloro-5-nitrophenyl methanol #,2-chloro-5-nitrophenyl methan-1-ol |
| IUPAC Name | (2-chloro-5-nitrophenyl)methanol |
| InChI Key | NNLQYDLTFRXAKD-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO3 |
2,4-Difluorobenzyl Alcohol 96.0+%, TCI America™
CAS: 56456-47-4 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.121 MDL Number: MFCD00009983 InChI Key: NIJZBWHOHNWJBX-UHFFFAOYSA-N Synonym: 2,4-difluorobenzyl alcohol,2,4-difluorophenyl methanol,2,4-difluorobenzylalcohol,benzenemethanol, 2,4-difluoro,2,4-difluorophenyl methan-1-ol,2,4-difluorobenzyl alcohol 2,4-difluoro-1-hydroxymethyl benzene,pubchem4910,acmc-209lsl,2,4-difluoro benzylalcohol,2,4-diflouro benzyl alcohol PubChem CID: 91867 IUPAC Name: (2,4-difluorophenyl)methanol SMILES: C1=CC(=C(C=C1F)F)CO
| PubChem CID | 91867 |
|---|---|
| CAS | 56456-47-4 |
| Molecular Weight (g/mol) | 144.121 |
| MDL Number | MFCD00009983 |
| SMILES | C1=CC(=C(C=C1F)F)CO |
| Synonym | 2,4-difluorobenzyl alcohol,2,4-difluorophenyl methanol,2,4-difluorobenzylalcohol,benzenemethanol, 2,4-difluoro,2,4-difluorophenyl methan-1-ol,2,4-difluorobenzyl alcohol 2,4-difluoro-1-hydroxymethyl benzene,pubchem4910,acmc-209lsl,2,4-difluoro benzylalcohol,2,4-diflouro benzyl alcohol |
| IUPAC Name | (2,4-difluorophenyl)methanol |
| InChI Key | NIJZBWHOHNWJBX-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2O |
4-Chloro-3-fluorobenzyl Bromide 98.0+%, TCI America™
CAS: 206362-80-3 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD04115859 InChI Key: CNUYBEIHDWMLSD-UHFFFAOYSA-N Synonym: 4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn PubChem CID: 2783136 IUPAC Name: 4-(bromomethyl)-1-chloro-2-fluorobenzene SMILES: FC1=C(Cl)C=CC(CBr)=C1
| PubChem CID | 2783136 |
|---|---|
| CAS | 206362-80-3 |
| Molecular Weight (g/mol) | 223.47 |
| MDL Number | MFCD04115859 |
| SMILES | FC1=C(Cl)C=CC(CBr)=C1 |
| Synonym | 4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn |
| IUPAC Name | 4-(bromomethyl)-1-chloro-2-fluorobenzene |
| InChI Key | CNUYBEIHDWMLSD-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrClF |
Ethyl 2,4,6-Trimethylbenzoate 95.0+%, TCI America™
CAS: 1754-55-8 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00015439 InChI Key: ZXTXIZPSMQCYBN-UHFFFAOYSA-N Synonym: 2,4,6-Trimethylbenzoic Acid Ethyl Ester, Ethyl Mesitylenecarboxylate, Mesitylenecarboxylic Acid Ethyl Ester PubChem CID: 74465 IUPAC Name: ethyl 2,4,6-trimethylbenzoate SMILES: CCOC(=O)C1=C(C=C(C=C1C)C)C
| PubChem CID | 74465 |
|---|---|
| CAS | 1754-55-8 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00015439 |
| SMILES | CCOC(=O)C1=C(C=C(C=C1C)C)C |
| Synonym | 2,4,6-Trimethylbenzoic Acid Ethyl Ester, Ethyl Mesitylenecarboxylate, Mesitylenecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 2,4,6-trimethylbenzoate |
| InChI Key | ZXTXIZPSMQCYBN-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |