Benzene and substituted derivatives
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Cinnamonitrile 95.0+%, TCI America™
CAS: 1885-38-7 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.162 MDL Number: MFCD00001930 InChI Key: ZWKNLRXFUTWSOY-QPJJXVBHSA-N Synonym: cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile PubChem CID: 1550846 IUPAC Name: (E)-3-phenylprop-2-enenitrile SMILES: C1=CC=C(C=C1)C=CC#N
| PubChem CID | 1550846 |
|---|---|
| CAS | 1885-38-7 |
| Molecular Weight (g/mol) | 129.162 |
| MDL Number | MFCD00001930 |
| SMILES | C1=CC=C(C=C1)C=CC#N |
| Synonym | cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile |
| IUPAC Name | (E)-3-phenylprop-2-enenitrile |
| InChI Key | ZWKNLRXFUTWSOY-QPJJXVBHSA-N |
| Molecular Formula | C9H7N |
4,4'-Isopropylidenediphenol Dimethacrylate 98.0+%, TCI America™
CAS: 3253-39-2 Molecular Formula: C23H24O4 Molecular Weight (g/mol): 364.44 MDL Number: MFCD00008585 InChI Key: QUZSUMLPWDHKCJ-UHFFFAOYSA-N Synonym: bisphenol a dimethacrylate,2,2-di 4-methacryloxyphenyl propane,4,4'-isopropylidenediphenol dimethacrylate,4,4'-isopropylidenediphenyl dimethacrylate,2-propenoic acid, 2-methyl-, 1-methylethylidene di-4,1-phenylene ester,propane-2,2-diylbis 4,1-phenylene bis 2-methylacrylate,4-2-4-2-methylprop-2-enoyloxy phenyl propan-2-yl phenyl 2-methylprop-2-enoate,bis-dma,2-propenoic acid, 2-methyl-, 1,1'-1-methylethylidene di-4,1-phenylene ester PubChem CID: 76739 ChEBI: CHEBI:34579 IUPAC Name: 4-(2-{4-[(2-methylprop-2-enoyl)oxy]phenyl}propan-2-yl)phenyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC1=CC=C(C=C1)C(C)(C)C1=CC=C(OC(=O)C(C)=C)C=C1
| PubChem CID | 76739 |
|---|---|
| CAS | 3253-39-2 |
| Molecular Weight (g/mol) | 364.44 |
| ChEBI | CHEBI:34579 |
| MDL Number | MFCD00008585 |
| SMILES | CC(=C)C(=O)OC1=CC=C(C=C1)C(C)(C)C1=CC=C(OC(=O)C(C)=C)C=C1 |
| Synonym | bisphenol a dimethacrylate,2,2-di 4-methacryloxyphenyl propane,4,4'-isopropylidenediphenol dimethacrylate,4,4'-isopropylidenediphenyl dimethacrylate,2-propenoic acid, 2-methyl-, 1-methylethylidene di-4,1-phenylene ester,propane-2,2-diylbis 4,1-phenylene bis 2-methylacrylate,4-2-4-2-methylprop-2-enoyloxy phenyl propan-2-yl phenyl 2-methylprop-2-enoate,bis-dma,2-propenoic acid, 2-methyl-, 1,1'-1-methylethylidene di-4,1-phenylene ester |
| IUPAC Name | 4-(2-{4-[(2-methylprop-2-enoyl)oxy]phenyl}propan-2-yl)phenyl 2-methylprop-2-enoate |
| InChI Key | QUZSUMLPWDHKCJ-UHFFFAOYSA-N |
| Molecular Formula | C23H24O4 |
2,3-Dimethoxybenzyl Alcohol 98.0+%, TCI America™
CAS: 5653-67-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00004612 InChI Key: CRLBBOBKCLYCJK-UHFFFAOYSA-N Synonym: 2,3-dimethoxybenzyl alcohol,2,3-dimethoxyphenyl methanol,o-veratryl alcohol,benzenemethanol, 2,3-dimethoxy,2,3-dimethoxyphenyl methan-1-ol,2,3-dimethoxybenzylalcohol,acmc-209lsx,ksc605g0n,benzenemethanol,2,3-dimethoxy,2,3-dimethoxyphenyl methanol # PubChem CID: 79738 IUPAC Name: (2,3-dimethoxyphenyl)methanol SMILES: COC1=CC=CC(=C1OC)CO
| PubChem CID | 79738 |
|---|---|
| CAS | 5653-67-8 |
| Molecular Weight (g/mol) | 168.192 |
| MDL Number | MFCD00004612 |
| SMILES | COC1=CC=CC(=C1OC)CO |
| Synonym | 2,3-dimethoxybenzyl alcohol,2,3-dimethoxyphenyl methanol,o-veratryl alcohol,benzenemethanol, 2,3-dimethoxy,2,3-dimethoxyphenyl methan-1-ol,2,3-dimethoxybenzylalcohol,acmc-209lsx,ksc605g0n,benzenemethanol,2,3-dimethoxy,2,3-dimethoxyphenyl methanol # |
| IUPAC Name | (2,3-dimethoxyphenyl)methanol |
| InChI Key | CRLBBOBKCLYCJK-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
Ethyl 6-Methylsalicylate 98.0+%, TCI America™
CAS: 6555-40-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD01194299 InChI Key: KWXBNUYCDMPLEQ-UHFFFAOYSA-N Synonym: Ethyl 2-Hydroxy-6-methylbenzoate, 2-Hydroxy-6-methylbenzoic Acid Ethyl Ester, 6-Methylsalicylic Acid Ethyl Ester PubChem CID: 584222 IUPAC Name: ethyl 2-hydroxy-6-methylbenzoate SMILES: CCOC(=O)C1=C(C=CC=C1O)C
| PubChem CID | 584222 |
|---|---|
| CAS | 6555-40-4 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD01194299 |
| SMILES | CCOC(=O)C1=C(C=CC=C1O)C |
| Synonym | Ethyl 2-Hydroxy-6-methylbenzoate, 2-Hydroxy-6-methylbenzoic Acid Ethyl Ester, 6-Methylsalicylic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-hydroxy-6-methylbenzoate |
| InChI Key | KWXBNUYCDMPLEQ-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
2,3-Bis(4-bromophenyl)-2-butenedinitrile 98.0+%, TCI America™
CAS: 315203-26-0 Molecular Formula: C16H8Br2N2 Molecular Weight (g/mol): 388.06 MDL Number: MFCD15072146 InChI Key: RWHQRUSYDYNSTI-UHFFFAOYSA-N PubChem CID: 69745618 IUPAC Name: bis(4-bromophenyl)but-2-enedinitrile SMILES: BrC1=CC=C(C=C1)C(C#N)=C(C#N)C1=CC=C(Br)C=C1
| PubChem CID | 69745618 |
|---|---|
| CAS | 315203-26-0 |
| Molecular Weight (g/mol) | 388.06 |
| MDL Number | MFCD15072146 |
| SMILES | BrC1=CC=C(C=C1)C(C#N)=C(C#N)C1=CC=C(Br)C=C1 |
| IUPAC Name | bis(4-bromophenyl)but-2-enedinitrile |
| InChI Key | RWHQRUSYDYNSTI-UHFFFAOYSA-N |
| Molecular Formula | C16H8Br2N2 |
3-Fluorobenzyl Alcohol 97.0+%, TCI America™
CAS: 456-47-3 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00004631 InChI Key: QDHRSLFSDGCJFX-UHFFFAOYSA-N Synonym: 3-fluorobenzyl alcohol,3-fluorophenyl methanol,m-fluorobenzyl alcohol,benzenemethanol, 3-fluoro,3-fluorobenzylalcohol,3-fluorobenzylic alcohol,benzyl alcohol, m-fluoro,3-fluorophenyl methan-1-ol,3-florobenzyl alcohol,pubchem3486 PubChem CID: 68008 IUPAC Name: (3-fluorophenyl)methanol SMILES: C1=CC(=CC(=C1)F)CO
| PubChem CID | 68008 |
|---|---|
| CAS | 456-47-3 |
| Molecular Weight (g/mol) | 126.13 |
| MDL Number | MFCD00004631 |
| SMILES | C1=CC(=CC(=C1)F)CO |
| Synonym | 3-fluorobenzyl alcohol,3-fluorophenyl methanol,m-fluorobenzyl alcohol,benzenemethanol, 3-fluoro,3-fluorobenzylalcohol,3-fluorobenzylic alcohol,benzyl alcohol, m-fluoro,3-fluorophenyl methan-1-ol,3-florobenzyl alcohol,pubchem3486 |
| IUPAC Name | (3-fluorophenyl)methanol |
| InChI Key | QDHRSLFSDGCJFX-UHFFFAOYSA-N |
| Molecular Formula | C7H7FO |
Dinonyl Phthalate (mixture of isomers) 95.0+%, TCI America™
CAS: 84-76-4 Molecular Formula: C26H42O4 Molecular Weight (g/mol): 418.62 MDL Number: MFCD00036237 InChI Key: DROMNWUQASBTFM-UHFFFAOYSA-N Synonym: dinonyl phthalate,dinonylphthalate,nonyl phthalate,di-n-nonyl phthalate,bisoflex dnp,unimoll dn,bisoflex 91,phthalic acid, dinonyl ester,1,2-benzenedicarboxylic acid, dinonyl ester,bisolflex 91 PubChem CID: 6787 IUPAC Name: 1,2-dinonyl benzene-1,2-dicarboxylate SMILES: CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC
| PubChem CID | 6787 |
|---|---|
| CAS | 84-76-4 |
| Molecular Weight (g/mol) | 418.62 |
| MDL Number | MFCD00036237 |
| SMILES | CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC |
| Synonym | dinonyl phthalate,dinonylphthalate,nonyl phthalate,di-n-nonyl phthalate,bisoflex dnp,unimoll dn,bisoflex 91,phthalic acid, dinonyl ester,1,2-benzenedicarboxylic acid, dinonyl ester,bisolflex 91 |
| IUPAC Name | 1,2-dinonyl benzene-1,2-dicarboxylate |
| InChI Key | DROMNWUQASBTFM-UHFFFAOYSA-N |
| Molecular Formula | C26H42O4 |
(S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether 98.0+%, TCI America™
CAS: 848821-58-9 Molecular Formula: C20H27NOSi Molecular Weight (g/mol): 325.53 MDL Number: MFCD08690083 InChI Key: RSUHWMSTWSSNOW-UHFFFAOYNA-N Synonym: (S)-(-)-2-[Diphenyl(trimethylsilyloxy)methyl]pyrrolidine, alpha,alpha-Diphenyl-L-prolinol Trimethylsilyl Ether, (S)-Hayashi-Jorgensen Catalyst PubChem CID: 11198150 IUPAC Name: 2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine SMILES: C[Si](C)(C)OC(C1CCCN1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11198150 |
|---|---|
| CAS | 848821-58-9 |
| Molecular Weight (g/mol) | 325.53 |
| MDL Number | MFCD08690083 |
| SMILES | C[Si](C)(C)OC(C1CCCN1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | (S)-(-)-2-[Diphenyl(trimethylsilyloxy)methyl]pyrrolidine, alpha,alpha-Diphenyl-L-prolinol Trimethylsilyl Ether, (S)-Hayashi-Jorgensen Catalyst |
| IUPAC Name | 2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine |
| InChI Key | RSUHWMSTWSSNOW-UHFFFAOYNA-N |
| Molecular Formula | C20H27NOSi |
4-Methyldiphenylamine 98.0+%, TCI America™
CAS: 620-84-8 Molecular Formula: C13H13N Molecular Weight (g/mol): 183.25 MDL Number: MFCD00092921 InChI Key: AGHYMXKKEXDUTA-UHFFFAOYSA-N Synonym: 4-methyldiphenylamine,benzenamine, 4-methyl-n-phenyl,n-phenyl-p-toluidine,4-methyl-n-phenyl-aniline,4-methyl-n-phenylbenzamine,4-methylphenyl phenylamine,phenyl-p-tolylamine,4-methyldiphenylamin,phenyl-p-tolyl-amine,n-pnenyl-4-methylaniline PubChem CID: 12109 IUPAC Name: 4-methyl-N-phenylaniline SMILES: CC1=CC=C(NC2=CC=CC=C2)C=C1
| PubChem CID | 12109 |
|---|---|
| CAS | 620-84-8 |
| Molecular Weight (g/mol) | 183.25 |
| MDL Number | MFCD00092921 |
| SMILES | CC1=CC=C(NC2=CC=CC=C2)C=C1 |
| Synonym | 4-methyldiphenylamine,benzenamine, 4-methyl-n-phenyl,n-phenyl-p-toluidine,4-methyl-n-phenyl-aniline,4-methyl-n-phenylbenzamine,4-methylphenyl phenylamine,phenyl-p-tolylamine,4-methyldiphenylamin,phenyl-p-tolyl-amine,n-pnenyl-4-methylaniline |
| IUPAC Name | 4-methyl-N-phenylaniline |
| InChI Key | AGHYMXKKEXDUTA-UHFFFAOYSA-N |
| Molecular Formula | C13H13N |
2-Chlorobenzyl Chloride 99.0+%, TCI America™
CAS: 611-19-8 Molecular Formula: C7H6Cl2 Molecular Weight (g/mol): 161.025 MDL Number: MFCD00000893 InChI Key: BASMANVIUSSIIM-UHFFFAOYSA-N Synonym: 2-chlorobenzyl chloride,1-chloro-2-chloromethyl benzene,2-chlorobenzylchloride,o-chlorobenzyl chloride,alpha,2-dichlorotoluene,benzene, 1-chloro-2-chloromethyl,alpha,o-dichlorotoluene,ar,alpha-dichlorotoluene,ortho-alpha-dichlorotoluene,unii-h58di83rmd PubChem CID: 11906 IUPAC Name: 1-chloro-2-(chloromethyl)benzene SMILES: C1=CC=C(C(=C1)CCl)Cl
| PubChem CID | 11906 |
|---|---|
| CAS | 611-19-8 |
| Molecular Weight (g/mol) | 161.025 |
| MDL Number | MFCD00000893 |
| SMILES | C1=CC=C(C(=C1)CCl)Cl |
| Synonym | 2-chlorobenzyl chloride,1-chloro-2-chloromethyl benzene,2-chlorobenzylchloride,o-chlorobenzyl chloride,alpha,2-dichlorotoluene,benzene, 1-chloro-2-chloromethyl,alpha,o-dichlorotoluene,ar,alpha-dichlorotoluene,ortho-alpha-dichlorotoluene,unii-h58di83rmd |
| IUPAC Name | 1-chloro-2-(chloromethyl)benzene |
| InChI Key | BASMANVIUSSIIM-UHFFFAOYSA-N |
| Molecular Formula | C7H6Cl2 |
3-Methylbenzyl Alcohol 98.0+%, TCI America™
CAS: 587-03-1 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00004646 InChI Key: JJCKHVUTVOPLBV-UHFFFAOYSA-N Synonym: 3-methylbenzyl alcohol,3-methylphenyl methanol,m-tolyl carbinol,m-tolylmethanol,benzenemethanol, 3-methyl,unii-ttg38p37u6,m-methylbenzyl alcohol,3-methylbenzylalcohol,m-methyl benzyl alcohol,3-methyl-benzenemethanol PubChem CID: 11476 ChEBI: CHEBI:27995 IUPAC Name: (3-methylphenyl)methanol SMILES: CC1=CC(=CC=C1)CO
| PubChem CID | 11476 |
|---|---|
| CAS | 587-03-1 |
| Molecular Weight (g/mol) | 122.167 |
| ChEBI | CHEBI:27995 |
| MDL Number | MFCD00004646 |
| SMILES | CC1=CC(=CC=C1)CO |
| Synonym | 3-methylbenzyl alcohol,3-methylphenyl methanol,m-tolyl carbinol,m-tolylmethanol,benzenemethanol, 3-methyl,unii-ttg38p37u6,m-methylbenzyl alcohol,3-methylbenzylalcohol,m-methyl benzyl alcohol,3-methyl-benzenemethanol |
| IUPAC Name | (3-methylphenyl)methanol |
| InChI Key | JJCKHVUTVOPLBV-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
4-Methylbenzophenone 95.0+%, TCI America™
CAS: 134-84-9 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.249 MDL Number: MFCD00008553 InChI Key: WXPWZZHELZEVPO-UHFFFAOYSA-N Synonym: 4-methylbenzophenone,phenyl p-tolyl methanone,4-methylphenyl phenyl methanone,p-methylbenzophenone,methanone, 4-methylphenyl phenyl,p-benzoyltoluene,4-methyl benzophenone,phenyl p-tolyl ketone,benzophenone, 4-methyl,p-benzophenone, methyl PubChem CID: 8652 IUPAC Name: (4-methylphenyl)-phenylmethanone SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 8652 |
|---|---|
| CAS | 134-84-9 |
| Molecular Weight (g/mol) | 196.249 |
| MDL Number | MFCD00008553 |
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| Synonym | 4-methylbenzophenone,phenyl p-tolyl methanone,4-methylphenyl phenyl methanone,p-methylbenzophenone,methanone, 4-methylphenyl phenyl,p-benzoyltoluene,4-methyl benzophenone,phenyl p-tolyl ketone,benzophenone, 4-methyl,p-benzophenone, methyl |
| IUPAC Name | (4-methylphenyl)-phenylmethanone |
| InChI Key | WXPWZZHELZEVPO-UHFFFAOYSA-N |
| Molecular Formula | C14H12O |
2-Fluorophenylhydrazine Hydrochloride 97.0+%, TCI America™
CAS: 2924-15-4 Molecular Formula: C6H8ClFN2 Molecular Weight (g/mol): 162.592 MDL Number: MFCD00012927 InChI Key: VFZYLSYYMHFPSY-UHFFFAOYSA-N Synonym: 2-fluorophenylhydrazine hydrochloride,2-fluorophenyl hydrazine hydrochloride,2-fluorophenylhydrazine hcl,2-fluorophenylhydrazinehydrochloride,o-fluorophenylhydrazine hydrochloride,hydrazine, 2-fluorophenyl-, monohydrochloride,1-2-fluorophenyl hydrazine hydrochloride,pubchem3347,c6h7fn2.hcl,acmc-209h7m PubChem CID: 2723910 IUPAC Name: (2-fluorophenyl)hydrazine;hydrochloride SMILES: C1=CC=C(C(=C1)NN)F.Cl
| PubChem CID | 2723910 |
|---|---|
| CAS | 2924-15-4 |
| Molecular Weight (g/mol) | 162.592 |
| MDL Number | MFCD00012927 |
| SMILES | C1=CC=C(C(=C1)NN)F.Cl |
| Synonym | 2-fluorophenylhydrazine hydrochloride,2-fluorophenyl hydrazine hydrochloride,2-fluorophenylhydrazine hcl,2-fluorophenylhydrazinehydrochloride,o-fluorophenylhydrazine hydrochloride,hydrazine, 2-fluorophenyl-, monohydrochloride,1-2-fluorophenyl hydrazine hydrochloride,pubchem3347,c6h7fn2.hcl,acmc-209h7m |
| IUPAC Name | (2-fluorophenyl)hydrazine;hydrochloride |
| InChI Key | VFZYLSYYMHFPSY-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClFN2 |
3,3'-Dibromo-4,4'-dimethoxybiphenyl 95.0+%, TCI America™
CAS: 108989-36-2 Molecular Formula: C14H12Br2O2 Molecular Weight (g/mol): 372.056 InChI Key: VUOOJGFHEDZGEA-UHFFFAOYSA-N PubChem CID: 15040359 IUPAC Name: 2-bromo-4-(3-bromo-4-methoxyphenyl)-1-methoxybenzene SMILES: COC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC)Br)Br
| PubChem CID | 15040359 |
|---|---|
| CAS | 108989-36-2 |
| Molecular Weight (g/mol) | 372.056 |
| SMILES | COC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC)Br)Br |
| IUPAC Name | 2-bromo-4-(3-bromo-4-methoxyphenyl)-1-methoxybenzene |
| InChI Key | VUOOJGFHEDZGEA-UHFFFAOYSA-N |
| Molecular Formula | C14H12Br2O2 |
4-Fluorobenzenesulfonamide 98.0+%, TCI America™
CAS: 402-46-0 Molecular Formula: C6H6FNO2S Molecular Weight (g/mol): 175.177 MDL Number: MFCD00025384 InChI Key: LFLSATHZMYYIAQ-UHFFFAOYSA-N Synonym: p-fluorobenzenesulfonamide,4-fluorobenzenesulphonamide,4-fluorobenzene-1-sulfonamide,p-fluorobenzenesulphonamide,4-flourobenzenesulfonamide,4-fluoro-benzenesulfonamide,benzenesulfonamide, p-fluoro,benzenesulfonamide, 4-fluoro,pubchem2167,acmc-1acsj PubChem CID: 120231 IUPAC Name: 4-fluorobenzenesulfonamide SMILES: C1=CC(=CC=C1F)S(=O)(=O)N
| PubChem CID | 120231 |
|---|---|
| CAS | 402-46-0 |
| Molecular Weight (g/mol) | 175.177 |
| MDL Number | MFCD00025384 |
| SMILES | C1=CC(=CC=C1F)S(=O)(=O)N |
| Synonym | p-fluorobenzenesulfonamide,4-fluorobenzenesulphonamide,4-fluorobenzene-1-sulfonamide,p-fluorobenzenesulphonamide,4-flourobenzenesulfonamide,4-fluoro-benzenesulfonamide,benzenesulfonamide, p-fluoro,benzenesulfonamide, 4-fluoro,pubchem2167,acmc-1acsj |
| IUPAC Name | 4-fluorobenzenesulfonamide |
| InChI Key | LFLSATHZMYYIAQ-UHFFFAOYSA-N |
| Molecular Formula | C6H6FNO2S |