Benzene and substituted derivatives
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Diphenyl carbonate, 99%
CAS: 102-09-0 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 InChI Key: ROORDVPLFPIABK-UHFFFAOYSA-N Synonym: carbonic acid, diphenyl ester,phenyl carbonate,diphenylcarbonate,carbonic acid diphenyl ester,phenyl carbonate pho 2co,unii-ywv401idyn,ph2co3,pho 2co,ywv401idyn,phenyl phenoxyformate PubChem CID: 7597 ChEBI: CHEBI:34722 IUPAC Name: diphenyl carbonate SMILES: C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2
| PubChem CID | 7597 |
|---|---|
| CAS | 102-09-0 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:34722 |
| SMILES | C1=CC=C(C=C1)OC(=O)OC2=CC=CC=C2 |
| Synonym | carbonic acid, diphenyl ester,phenyl carbonate,diphenylcarbonate,carbonic acid diphenyl ester,phenyl carbonate pho 2co,unii-ywv401idyn,ph2co3,pho 2co,ywv401idyn,phenyl phenoxyformate |
| IUPAC Name | diphenyl carbonate |
| InChI Key | ROORDVPLFPIABK-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
1,6-Diphenyl-1,3,5-hexatriene, 95%
CAS: 1720-32-7 Molecular Formula: C18H16 Molecular Weight (g/mol): 232.32 MDL Number: MFCD00004793 InChI Key: BOBLSBAZCVBABY-WPWUJOAOSA-N Synonym: 1,6-diphenyl-1,3,5-hexatriene,1,6-diphenylhexatriene,diphenylhexatriene,dicinnamyl,1,6-diphenylhexa-1,3,5-triene,benzene, 1,1'-1,3,5-hexatriene-1,6-diyl bis,1,3,5-hexatriene, 1,6-diphenyl,1e,3e,5e-6-phenylhexa-1,3,5-trienyl benzene,1,1'-1e,3e,5e-hexa-1,3,5-triene-1,6-diyldibenzene PubChem CID: 5376733 ChEBI: CHEBI:51594 IUPAC Name: [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene SMILES: C1=CC=C(C=C1)C=CC=CC=CC2=CC=CC=C2
| PubChem CID | 5376733 |
|---|---|
| CAS | 1720-32-7 |
| Molecular Weight (g/mol) | 232.32 |
| ChEBI | CHEBI:51594 |
| MDL Number | MFCD00004793 |
| SMILES | C1=CC=C(C=C1)C=CC=CC=CC2=CC=CC=C2 |
| Synonym | 1,6-diphenyl-1,3,5-hexatriene,1,6-diphenylhexatriene,diphenylhexatriene,dicinnamyl,1,6-diphenylhexa-1,3,5-triene,benzene, 1,1'-1,3,5-hexatriene-1,6-diyl bis,1,3,5-hexatriene, 1,6-diphenyl,1e,3e,5e-6-phenylhexa-1,3,5-trienyl benzene,1,1'-1e,3e,5e-hexa-1,3,5-triene-1,6-diyldibenzene |
| IUPAC Name | [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene |
| InChI Key | BOBLSBAZCVBABY-WPWUJOAOSA-N |
| Molecular Formula | C18H16 |
Hydroquinone bis(2-hydroxyethyl) ether, 95%
CAS: 104-38-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00002861 InChI Key: WTPYFJNYAMXZJG-UHFFFAOYSA-N Synonym: hydroquinone bis 2-hydroxyethyl ether,1,4-bis 2-hydroxyethoxy benzene,vernatzer 30/10,2,2'-1,4-phenylenebis oxy diethanol,hydroquinone di 2-hydroxyethyl ether,hydroquinone diethylol ether,2,2'-phenylenedioxy diethanol,2,2'-p-phenylenedioxy diethanol,2,2'-p-phenylenedioxydiethanol,2-4-2-hydroxyethoxy phenoxy ethanol PubChem CID: 66912 IUPAC Name: 2-[4-(2-hydroxyethoxy)phenoxy]ethanol SMILES: C1=CC(=CC=C1OCCO)OCCO
| PubChem CID | 66912 |
|---|---|
| CAS | 104-38-1 |
| Molecular Weight (g/mol) | 198.218 |
| MDL Number | MFCD00002861 |
| SMILES | C1=CC(=CC=C1OCCO)OCCO |
| Synonym | hydroquinone bis 2-hydroxyethyl ether,1,4-bis 2-hydroxyethoxy benzene,vernatzer 30/10,2,2'-1,4-phenylenebis oxy diethanol,hydroquinone di 2-hydroxyethyl ether,hydroquinone diethylol ether,2,2'-phenylenedioxy diethanol,2,2'-p-phenylenedioxy diethanol,2,2'-p-phenylenedioxydiethanol,2-4-2-hydroxyethoxy phenoxy ethanol |
| IUPAC Name | 2-[4-(2-hydroxyethoxy)phenoxy]ethanol |
| InChI Key | WTPYFJNYAMXZJG-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |
Diphenylmethane, 99+%
CAS: 101-81-5 Molecular Formula: C13H12 Molecular Weight (g/mol): 168.24 MDL Number: MFCD00004781 InChI Key: CZZYITDELCSZES-UHFFFAOYSA-N Synonym: diphenylmethane,ditan,ditane,benzene, 1,1'-methylenebis,diphenyl methane,benzene, benzyl,methane, diphenyl,1,1'-dimethylenebis benzene,benzene, phenylmethyl,methylenedibenzene PubChem CID: 7580 ChEBI: CHEBI:38884 IUPAC Name: benzylbenzene SMILES: C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 7580 |
|---|---|
| CAS | 101-81-5 |
| Molecular Weight (g/mol) | 168.24 |
| ChEBI | CHEBI:38884 |
| MDL Number | MFCD00004781 |
| SMILES | C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenylmethane,ditan,ditane,benzene, 1,1'-methylenebis,diphenyl methane,benzene, benzyl,methane, diphenyl,1,1'-dimethylenebis benzene,benzene, phenylmethyl,methylenedibenzene |
| IUPAC Name | benzylbenzene |
| InChI Key | CZZYITDELCSZES-UHFFFAOYSA-N |
| Molecular Formula | C13H12 |
4-Fluoro-3-methylphenylmagnesium bromide, 0.5M solution in THF, AcroSeal™, Thermo Scientific™
CAS: 82297-89-0 Molecular Formula: C7H6BrFMg Molecular Weight (g/mol): 213.33 MDL Number: MFCD00075303 InChI Key: OLSGDQISPRACFY-UHFFFAOYSA-M Synonym: 4-fluoro-3-methylphenylmagnesium bromide,olsgdqispracfy-uhfffaoysa-m,bromo 4-fluoro-3-methylphenyl magnesium,3-methyl-4-fluorophenyl magnesium bromide,4-fluoro-3-methylphenyl magnesium bromide,4-fluoro-3-methylphenylmagnesium bromide, 0.50 m in 2-methf,4-fluoro-3-methylphenylmagnesium bromide 0.5 m in tetrahydrofuran,4-fluoro-3-methylphenylmagnesium bromide solution, 1.0 m in thf,grignard reagent PubChem CID: 2778169 IUPAC Name: magnesium;1-fluoro-2-methylbenzene-4-ide;bromide SMILES: CC1=CC([Mg]Br)=CC=C1F
| PubChem CID | 2778169 |
|---|---|
| CAS | 82297-89-0 |
| Molecular Weight (g/mol) | 213.33 |
| MDL Number | MFCD00075303 |
| SMILES | CC1=CC([Mg]Br)=CC=C1F |
| Synonym | 4-fluoro-3-methylphenylmagnesium bromide,olsgdqispracfy-uhfffaoysa-m,bromo 4-fluoro-3-methylphenyl magnesium,3-methyl-4-fluorophenyl magnesium bromide,4-fluoro-3-methylphenyl magnesium bromide,4-fluoro-3-methylphenylmagnesium bromide, 0.50 m in 2-methf,4-fluoro-3-methylphenylmagnesium bromide 0.5 m in tetrahydrofuran,4-fluoro-3-methylphenylmagnesium bromide solution, 1.0 m in thf,grignard reagent |
| IUPAC Name | magnesium;1-fluoro-2-methylbenzene-4-ide;bromide |
| InChI Key | OLSGDQISPRACFY-UHFFFAOYSA-M |
| Molecular Formula | C7H6BrFMg |
Benzotrifluoride, 99%
CAS: 98-08-8 Molecular Formula: C7H5F3 Molecular Weight (g/mol): 146.112 MDL Number: MFCD00000372 InChI Key: GETTZEONDQJALK-UHFFFAOYSA-N Synonym: benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene PubChem CID: 7368 ChEBI: CHEBI:36810 IUPAC Name: trifluoromethylbenzene SMILES: C1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 7368 |
|---|---|
| CAS | 98-08-8 |
| Molecular Weight (g/mol) | 146.112 |
| ChEBI | CHEBI:36810 |
| MDL Number | MFCD00000372 |
| SMILES | C1=CC=C(C=C1)C(F)(F)F |
| Synonym | benzotrifluoride,trifluoromethyl benzene,alpha,alpha,alpha-trifluorotoluene,phenylfluoroform,benzene, trifluoromethyl,benzenyl fluoride,benzylidyne fluoride,usaf ma-16,a,a,a-trifluorotoluene,trifluoro toluene |
| IUPAC Name | trifluoromethylbenzene |
| InChI Key | GETTZEONDQJALK-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3 |
2,6-Difluorotoluene, 98%
CAS: 443-84-5 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.122 MDL Number: MFCD00043898 InChI Key: MZLSNIREOQCDED-UHFFFAOYSA-N Synonym: 2,6-difluorotoluene,benzene, 1,3-difluoro-2-methyl,2.6-difluoro methyl benzene,1,3-difluoro-2-methyl-benzene,1,3-difluor-2-methylbenzol,pubchem1614,2,6-difluoro toluene,acmc-209jxo,ksc493c9b PubChem CID: 581493 IUPAC Name: 1,3-difluoro-2-methylbenzene SMILES: CC1=C(C=CC=C1F)F
| PubChem CID | 581493 |
|---|---|
| CAS | 443-84-5 |
| Molecular Weight (g/mol) | 128.122 |
| MDL Number | MFCD00043898 |
| SMILES | CC1=C(C=CC=C1F)F |
| Synonym | 2,6-difluorotoluene,benzene, 1,3-difluoro-2-methyl,2.6-difluoro methyl benzene,1,3-difluoro-2-methyl-benzene,1,3-difluor-2-methylbenzol,pubchem1614,2,6-difluoro toluene,acmc-209jxo,ksc493c9b |
| IUPAC Name | 1,3-difluoro-2-methylbenzene |
| InChI Key | MZLSNIREOQCDED-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2 |
p-Tolualdehyde, 97%
CAS: 104-87-0 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00006954 InChI Key: FXLOVSHXALFLKQ-UHFFFAOYSA-N Synonym: p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde PubChem CID: 7725 ChEBI: CHEBI:28617 IUPAC Name: 4-methylbenzaldehyde SMILES: CC1=CC=C(C=C1)C=O
| PubChem CID | 7725 |
|---|---|
| CAS | 104-87-0 |
| Molecular Weight (g/mol) | 120.15 |
| ChEBI | CHEBI:28617 |
| MDL Number | MFCD00006954 |
| SMILES | CC1=CC=C(C=C1)C=O |
| Synonym | p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde |
| IUPAC Name | 4-methylbenzaldehyde |
| InChI Key | FXLOVSHXALFLKQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
Homophthalonitrile, tech. 80%
CAS: 3759-28-2 Molecular Formula: C9H6N2 Molecular Weight (g/mol): 142.16 MDL Number: MFCD00001895 InChI Key: GKHSEDFDYXZGCG-UHFFFAOYSA-N Synonym: 2-cyanomethyl benzonitrile,homophthalonitrile,2-cyanobenzyl cyanide,2-cyanophenylacetonitrile,alpha-cyano-o-tolunitrile,o-cyanobenzyl cyanide,benzeneacetonitrile, 2-cyano,2-cyanobenzeneacetonitrile,o-cyanophenyl acetonitrile,o-tolunitrile, alpha-cyano PubChem CID: 77368 IUPAC Name: 2-(cyanomethyl)benzonitrile SMILES: N#CCC1=CC=CC=C1C#N
| PubChem CID | 77368 |
|---|---|
| CAS | 3759-28-2 |
| Molecular Weight (g/mol) | 142.16 |
| MDL Number | MFCD00001895 |
| SMILES | N#CCC1=CC=CC=C1C#N |
| Synonym | 2-cyanomethyl benzonitrile,homophthalonitrile,2-cyanobenzyl cyanide,2-cyanophenylacetonitrile,alpha-cyano-o-tolunitrile,o-cyanobenzyl cyanide,benzeneacetonitrile, 2-cyano,2-cyanobenzeneacetonitrile,o-cyanophenyl acetonitrile,o-tolunitrile, alpha-cyano |
| IUPAC Name | 2-(cyanomethyl)benzonitrile |
| InChI Key | GKHSEDFDYXZGCG-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2 |
4-Ethoxybenzonitrile, 98%
CAS: 25117-74-2 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00001819 InChI Key: PJRLUGQMEZZDIY-UHFFFAOYSA-N Synonym: benzonitrile, 4-ethoxy,p-ethoxycyanobenzene,p-ethoxybenzonitrile,4-ethoxybenzoic acid nitrile,benzonitrile, p-ethoxy,4-ethoxybenzenecarbonitrile,4-ethoxy-benzonitrile,4-ethyloxybenzonitrile,acmc-1cis8 PubChem CID: 141176 IUPAC Name: 4-ethoxybenzonitrile SMILES: CCOC1=CC=C(C=C1)C#N
| PubChem CID | 141176 |
|---|---|
| CAS | 25117-74-2 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00001819 |
| SMILES | CCOC1=CC=C(C=C1)C#N |
| Synonym | benzonitrile, 4-ethoxy,p-ethoxycyanobenzene,p-ethoxybenzonitrile,4-ethoxybenzoic acid nitrile,benzonitrile, p-ethoxy,4-ethoxybenzenecarbonitrile,4-ethoxy-benzonitrile,4-ethyloxybenzonitrile,acmc-1cis8 |
| IUPAC Name | 4-ethoxybenzonitrile |
| InChI Key | PJRLUGQMEZZDIY-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
Ethyl 3-bromobenzoate, 98+%
CAS: 24398-88-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00013529 InChI Key: QAUASTLEZAPQTB-UHFFFAOYSA-N PubChem CID: 90488 IUPAC Name: ethyl 3-bromobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)Br
| PubChem CID | 90488 |
|---|---|
| CAS | 24398-88-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00013529 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)Br |
| IUPAC Name | ethyl 3-bromobenzoate |
| InChI Key | QAUASTLEZAPQTB-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
4-Benzyloxy-3-methoxybenzaldehyde, 98%
CAS: 2426-87-1 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00003365 InChI Key: JSHLOPGSDZTEGQ-UHFFFAOYSA-N Synonym: 4-benzyloxy-3-methoxybenzaldehyde,benzylvanillin,o-benzylvanillin,vanillin benzyl ether,unii-5knc2tsw9g,4-benzyloxy-3-methoxy-benzaldehyde,benzaldehyde, 3-methoxy-4-phenylmethoxy,5knc2tsw9g,3-methoxy-4-phenylmethoxy benzaldehyde PubChem CID: 75506 IUPAC Name: 3-methoxy-4-phenylmethoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1OCC1=CC=CC=C1
| PubChem CID | 75506 |
|---|---|
| CAS | 2426-87-1 |
| Molecular Weight (g/mol) | 242.27 |
| MDL Number | MFCD00003365 |
| SMILES | COC1=CC(C=O)=CC=C1OCC1=CC=CC=C1 |
| Synonym | 4-benzyloxy-3-methoxybenzaldehyde,benzylvanillin,o-benzylvanillin,vanillin benzyl ether,unii-5knc2tsw9g,4-benzyloxy-3-methoxy-benzaldehyde,benzaldehyde, 3-methoxy-4-phenylmethoxy,5knc2tsw9g,3-methoxy-4-phenylmethoxy benzaldehyde |
| IUPAC Name | 3-methoxy-4-phenylmethoxybenzaldehyde |
| InChI Key | JSHLOPGSDZTEGQ-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
Bis(4-chlorophenyl) sulfone, 99%
CAS: 80-07-9 Molecular Formula: C12H8Cl2O2S Molecular Weight (g/mol): 287.15 MDL Number: MFCD00000619 InChI Key: GPAPPPVRLPGFEQ-UHFFFAOYSA-N Synonym: 4,4'-dichlorodiphenyl sulfone,bis 4-chlorophenyl sulfone,p,p'-dichlorodiphenyl sulfone,sulfone, bis p-chlorophenyl,4-chlorophenyl sulfone,1,1'-sulfonylbis 4-chlorobenzene,bis p-chlorophenyl sulfone,benzene, 1,1'-sulfonylbis 4-chloro,p-chlorophenyl sulfone,4,4'-dichlorodiphenylsulfone PubChem CID: 6625 SMILES: ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 6625 |
|---|---|
| CAS | 80-07-9 |
| Molecular Weight (g/mol) | 287.15 |
| MDL Number | MFCD00000619 |
| SMILES | ClC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 4,4'-dichlorodiphenyl sulfone,bis 4-chlorophenyl sulfone,p,p'-dichlorodiphenyl sulfone,sulfone, bis p-chlorophenyl,4-chlorophenyl sulfone,1,1'-sulfonylbis 4-chlorobenzene,bis p-chlorophenyl sulfone,benzene, 1,1'-sulfonylbis 4-chloro,p-chlorophenyl sulfone,4,4'-dichlorodiphenylsulfone |
| InChI Key | GPAPPPVRLPGFEQ-UHFFFAOYSA-N |
| Molecular Formula | C12H8Cl2O2S |
3-Bromobenzylamine hydrochloride, 98%
CAS: 39959-54-1 Molecular Formula: C7H9BrClN Molecular Weight (g/mol): 222.51 MDL Number: MFCD00012856 InChI Key: UGEQUCUBWNAUJS-UHFFFAOYSA-N Synonym: 3-bromobenzylamine hydrochloride,3-bromophenyl methanamine hydrochloride,3-bromobenzylamine hcl,3-bromobenzylaminehydrochloride,m-bromobenzylamine hydrochloride,3-bromophenyl methylamine hydrochloride,1-3-bromophenyl methanamine hydrochloride,benzenemethanamine, 3-bromo-, hydrochloride,pubchem3750,3-bromobenzyl amine hcl PubChem CID: 2724980 IUPAC Name: (3-bromophenyl)methanamine;hydrochloride SMILES: C1=CC(=CC(=C1)Br)CN.Cl
| PubChem CID | 2724980 |
|---|---|
| CAS | 39959-54-1 |
| Molecular Weight (g/mol) | 222.51 |
| MDL Number | MFCD00012856 |
| SMILES | C1=CC(=CC(=C1)Br)CN.Cl |
| Synonym | 3-bromobenzylamine hydrochloride,3-bromophenyl methanamine hydrochloride,3-bromobenzylamine hcl,3-bromobenzylaminehydrochloride,m-bromobenzylamine hydrochloride,3-bromophenyl methylamine hydrochloride,1-3-bromophenyl methanamine hydrochloride,benzenemethanamine, 3-bromo-, hydrochloride,pubchem3750,3-bromobenzyl amine hcl |
| IUPAC Name | (3-bromophenyl)methanamine;hydrochloride |
| InChI Key | UGEQUCUBWNAUJS-UHFFFAOYSA-N |
| Molecular Formula | C7H9BrClN |
1,4-Dibromobenzene, 98%
CAS: 106-37-6 Molecular Formula: C6H4Br2 Molecular Weight (g/mol): 235.91 MDL Number: MFCD00000089 InChI Key: SWJPEBQEEAHIGZ-UHFFFAOYSA-N Synonym: p-dibromobenzene,p-bromophenyl bromide,benzene, 1,4-dibromo,benzene, p-dibromo,p-benzene dibromide,1,4-dibromo benzene,1,4-dibromo-benzene,unii-9991w3m5hz,dibromobenzene, 1,4,labotest-bb ltbb002071 PubChem CID: 7804 ChEBI: CHEBI:37150 IUPAC Name: 1,4-dibromobenzene SMILES: BrC1=CC=C(Br)C=C1
| PubChem CID | 7804 |
|---|---|
| CAS | 106-37-6 |
| Molecular Weight (g/mol) | 235.91 |
| ChEBI | CHEBI:37150 |
| MDL Number | MFCD00000089 |
| SMILES | BrC1=CC=C(Br)C=C1 |
| Synonym | p-dibromobenzene,p-bromophenyl bromide,benzene, 1,4-dibromo,benzene, p-dibromo,p-benzene dibromide,1,4-dibromo benzene,1,4-dibromo-benzene,unii-9991w3m5hz,dibromobenzene, 1,4,labotest-bb ltbb002071 |
| IUPAC Name | 1,4-dibromobenzene |
| InChI Key | SWJPEBQEEAHIGZ-UHFFFAOYSA-N |
| Molecular Formula | C6H4Br2 |