Benzene and substituted derivatives
Filtered Search Results
(R)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%
CAS: 20445-31-2 Molecular Formula: C10H9F3O3 Molecular Weight (g/mol): 234.17 MDL Number: MFCD00004184 InChI Key: JJYKJUXBWFATTE-UHFFFAOYNA-N PubChem CID: 2723917 SMILES: COC(C(O)=O)(C1=CC=CC=C1)C(F)(F)F
| PubChem CID | 2723917 |
|---|---|
| CAS | 20445-31-2 |
| Molecular Weight (g/mol) | 234.17 |
| MDL Number | MFCD00004184 |
| SMILES | COC(C(O)=O)(C1=CC=CC=C1)C(F)(F)F |
| InChI Key | JJYKJUXBWFATTE-UHFFFAOYNA-N |
| Molecular Formula | C10H9F3O3 |
trans-Anethole, 98+%
CAS: 4180-23-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC
| PubChem CID | 637563 |
|---|---|
| CAS | 4180-23-8 |
| Molecular Weight (g/mol) | 148.205 |
| ChEBI | CHEBI:35616 |
| MDL Number | MFCD00009284 |
| SMILES | CC=CC1=CC=C(C=C1)OC |
| Synonym | anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole |
| IUPAC Name | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| InChI Key | RUVINXPYWBROJD-ONEGZZNKSA-N |
| Molecular Formula | C10H12O |
Pentafluorobenzoic acid, 99%
CAS: 602-94-8 Molecular Formula: C7HF5O2 Molecular Weight (g/mol): 212.08 MDL Number: MFCD00002406 InChI Key: YZERDTREOUSUHF-UHFFFAOYSA-N Synonym: pentafluorobenzoic acid,perfluorobenzoic acid,benzoic acid, pentafluoro,benzoic acid, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorobenzoicacid,pubchem2320,acmc-1b1wz,4-09-00-00956 beilstein handbook reference,ksc355e3b,rarechem al bo 0017 PubChem CID: 11770 ChEBI: CHEBI:46796 IUPAC Name: 2,3,4,5,6-pentafluorobenzoic acid SMILES: OC(=O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 11770 |
|---|---|
| CAS | 602-94-8 |
| Molecular Weight (g/mol) | 212.08 |
| ChEBI | CHEBI:46796 |
| MDL Number | MFCD00002406 |
| SMILES | OC(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | pentafluorobenzoic acid,perfluorobenzoic acid,benzoic acid, pentafluoro,benzoic acid, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluorobenzoicacid,pubchem2320,acmc-1b1wz,4-09-00-00956 beilstein handbook reference,ksc355e3b,rarechem al bo 0017 |
| IUPAC Name | 2,3,4,5,6-pentafluorobenzoic acid |
| InChI Key | YZERDTREOUSUHF-UHFFFAOYSA-N |
| Molecular Formula | C7HF5O2 |
4-Iodoanisole, 98+%
CAS: 696-62-8 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.036 MDL Number: MFCD00001056 InChI Key: SYSZENVIJHPFNL-UHFFFAOYSA-N Synonym: 4-iodoanisole,p-iodoanisole,benzene, 1-iodo-4-methoxy,isoform,4-methoxyiodobenzene,p-methoxyiodobenzene,anisole, p-iodo,4-iodomethoxybenzene,p-iodophenyl methyl ether,1-iodo-4-methoxy-benzene PubChem CID: 69676 IUPAC Name: 1-iodo-4-methoxybenzene SMILES: COC1=CC=C(C=C1)I
| PubChem CID | 69676 |
|---|---|
| CAS | 696-62-8 |
| Molecular Weight (g/mol) | 234.036 |
| MDL Number | MFCD00001056 |
| SMILES | COC1=CC=C(C=C1)I |
| Synonym | 4-iodoanisole,p-iodoanisole,benzene, 1-iodo-4-methoxy,isoform,4-methoxyiodobenzene,p-methoxyiodobenzene,anisole, p-iodo,4-iodomethoxybenzene,p-iodophenyl methyl ether,1-iodo-4-methoxy-benzene |
| IUPAC Name | 1-iodo-4-methoxybenzene |
| InChI Key | SYSZENVIJHPFNL-UHFFFAOYSA-N |
| Molecular Formula | C7H7IO |
p-Toluenesulfonyl Isocyanate 95.0+%, TCI America™
CAS: 4083-64-1 Molecular Formula: C8H7NO3S Molecular Weight (g/mol): 197.21 MDL Number: MFCD00002030 InChI Key: VLJQDHDVZJXNQL-UHFFFAOYSA-N Synonym: tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate PubChem CID: 77703 IUPAC Name: 4-methylbenzene-1-sulfonyl isocyanate SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C=O
| PubChem CID | 77703 |
|---|---|
| CAS | 4083-64-1 |
| Molecular Weight (g/mol) | 197.21 |
| MDL Number | MFCD00002030 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C=O |
| Synonym | tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate |
| IUPAC Name | 4-methylbenzene-1-sulfonyl isocyanate |
| InChI Key | VLJQDHDVZJXNQL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3S |
Methyl 4-Bromo-3-hydroxybenzoate 98.0+%, TCI America™
CAS: 106291-80-9 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.05 MDL Number: MFCD08056372 InChI Key: VYOFPLOREOHCDP-UHFFFAOYSA-N Synonym: 4-Bromo-3-hydroxybenzoic Acid Methyl Ester PubChem CID: 6425184 IUPAC Name: methyl 4-bromo-3-hydroxybenzoate SMILES: COC(=O)C1=CC(O)=C(Br)C=C1
| PubChem CID | 6425184 |
|---|---|
| CAS | 106291-80-9 |
| Molecular Weight (g/mol) | 231.05 |
| MDL Number | MFCD08056372 |
| SMILES | COC(=O)C1=CC(O)=C(Br)C=C1 |
| Synonym | 4-Bromo-3-hydroxybenzoic Acid Methyl Ester |
| IUPAC Name | methyl 4-bromo-3-hydroxybenzoate |
| InChI Key | VYOFPLOREOHCDP-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3 |
4-Bromo-2-nitrobenzoic Acid 98.0+%, TCI America™
CAS: 99277-71-1 Molecular Formula: C7H3BrNO4 Molecular Weight (g/mol): 245.01 MDL Number: MFCD01013599 InChI Key: ZIRHHEZLJGORGU-UHFFFAOYSA-M Synonym: 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- PubChem CID: 3774467 IUPAC Name: 4-bromo-2-nitrobenzoate SMILES: [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O
| PubChem CID | 3774467 |
|---|---|
| CAS | 99277-71-1 |
| Molecular Weight (g/mol) | 245.01 |
| MDL Number | MFCD01013599 |
| SMILES | [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O |
| Synonym | 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- |
| IUPAC Name | 4-bromo-2-nitrobenzoate |
| InChI Key | ZIRHHEZLJGORGU-UHFFFAOYSA-M |
| Molecular Formula | C7H3BrNO4 |
4-Benzyloxy-3-methoxybenzaldehyde 98.0+%, TCI America™
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: 4-(benzyloxy)-3-methoxybenzaldehyde 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 | 4-(benzyloxy)-3-methoxybenzaldehyde |
| InChI Key | JSHLOPGSDZTEGQ-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
1,1-Diphenylethanol 98.0+%, TCI America™
CAS: 599-67-7 Molecular Formula: C14H14O Molecular Weight (g/mol): 198.27 MDL Number: MFCD00004450 InChI Key: GIMDPFBLSKQRNP-UHFFFAOYSA-N Synonym: diphenylmethylcarbinol,methyldiphenylcarbinol,1,1-diphenyl-1-ethanol,alpha-methylbenzhydrol,benzhydrol, .alpha.-methyl,benzenemethanol, .alpha.-methyl-.alpha.-phenyl,.alpha.-methylbenzhydrol,1,1-diphenylethan-1-ol,unii-8v681bnm35,nsc33 PubChem CID: 69031 IUPAC Name: 1,1-diphenylethan-1-ol SMILES: CC(O)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 69031 |
|---|---|
| CAS | 599-67-7 |
| Molecular Weight (g/mol) | 198.27 |
| MDL Number | MFCD00004450 |
| SMILES | CC(O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenylmethylcarbinol,methyldiphenylcarbinol,1,1-diphenyl-1-ethanol,alpha-methylbenzhydrol,benzhydrol, .alpha.-methyl,benzenemethanol, .alpha.-methyl-.alpha.-phenyl,.alpha.-methylbenzhydrol,1,1-diphenylethan-1-ol,unii-8v681bnm35,nsc33 |
| IUPAC Name | 1,1-diphenylethan-1-ol |
| InChI Key | GIMDPFBLSKQRNP-UHFFFAOYSA-N |
| Molecular Formula | C14H14O |
4-Methoxybenzyl Chloride (stabilized with Amylene) 98.0+%, TCI America™
CAS: 824-94-2 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00000915 InChI Key: MOHYOXXOKFQHDC-UHFFFAOYSA-N Synonym: 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl PubChem CID: 69993 IUPAC Name: 1-(chloromethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CCl
| PubChem CID | 69993 |
|---|---|
| CAS | 824-94-2 |
| Molecular Weight (g/mol) | 156.609 |
| MDL Number | MFCD00000915 |
| SMILES | COC1=CC=C(C=C1)CCl |
| Synonym | 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl |
| IUPAC Name | 1-(chloromethyl)-4-methoxybenzene |
| InChI Key | MOHYOXXOKFQHDC-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
4-Bromo-3-nitrobenzotrifluoride 98.0+%, TCI America™
CAS: 349-03-1 Molecular Formula: C7H3BrF3NO2 Molecular Weight (g/mol): 270.01 MDL Number: MFCD00014685 InChI Key: PESPBNYBZVIGRO-UHFFFAOYSA-N Synonym: 4-bromo-3-nitrobenzotrifluoride,1-bromo-2-nitro-4-trifluoromethyl benzene,2-nitro-4-trifluoromethylbromobenzene,3-nitro-4-bromobenzotrifluoride,2-bromo-5-trifluoromethyl nitrobenzene,4-bromo-3-nitro-a,a,a-trifluorotoluene,benzene, 1-bromo-2-nitro-4-trifluoromethyl,1-bromo-2-nitro-4-trifluoromethyl-benzene,2-bromo-1-nitro-5-trifluoromethyl benzene,toluene, 4-bromo-3-nitro-alpha,alpha,alpha-trifluoro PubChem CID: 520706 IUPAC Name: 1-bromo-2-nitro-4-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(=CC=C1Br)C(F)(F)F
| PubChem CID | 520706 |
|---|---|
| CAS | 349-03-1 |
| Molecular Weight (g/mol) | 270.01 |
| MDL Number | MFCD00014685 |
| SMILES | [O-][N+](=O)C1=CC(=CC=C1Br)C(F)(F)F |
| Synonym | 4-bromo-3-nitrobenzotrifluoride,1-bromo-2-nitro-4-trifluoromethyl benzene,2-nitro-4-trifluoromethylbromobenzene,3-nitro-4-bromobenzotrifluoride,2-bromo-5-trifluoromethyl nitrobenzene,4-bromo-3-nitro-a,a,a-trifluorotoluene,benzene, 1-bromo-2-nitro-4-trifluoromethyl,1-bromo-2-nitro-4-trifluoromethyl-benzene,2-bromo-1-nitro-5-trifluoromethyl benzene,toluene, 4-bromo-3-nitro-alpha,alpha,alpha-trifluoro |
| IUPAC Name | 1-bromo-2-nitro-4-(trifluoromethyl)benzene |
| InChI Key | PESPBNYBZVIGRO-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF3NO2 |
1-Naphthylhydrazine Hydrochloride 90.0+%, TCI America™
CAS: 2243-56-3 Molecular Formula: C10H11ClN2 Molecular Weight (g/mol): 194.662 MDL Number: MFCD00060157 InChI Key: FYSSYOCJFZSKNW-UHFFFAOYSA-N PubChem CID: 519949 IUPAC Name: naphthalen-1-ylhydrazine;hydrochloride SMILES: C1=CC=C2C(=C1)C=CC=C2NN.Cl
| PubChem CID | 519949 |
|---|---|
| CAS | 2243-56-3 |
| Molecular Weight (g/mol) | 194.662 |
| MDL Number | MFCD00060157 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2NN.Cl |
| IUPAC Name | naphthalen-1-ylhydrazine;hydrochloride |
| InChI Key | FYSSYOCJFZSKNW-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClN2 |
2-Nitrobenzaldehyde 99.0+%, TCI America™
CAS: 552-89-6 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.121 MDL Number: MFCD00007132 InChI Key: CMWKITSNTDAEDT-UHFFFAOYSA-N Synonym: o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde PubChem CID: 11101 ChEBI: CHEBI:66927 IUPAC Name: 2-nitrobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)[N+](=O)[O-]
| PubChem CID | 11101 |
|---|---|
| CAS | 552-89-6 |
| Molecular Weight (g/mol) | 151.121 |
| ChEBI | CHEBI:66927 |
| MDL Number | MFCD00007132 |
| SMILES | C1=CC=C(C(=C1)C=O)[N+](=O)[O-] |
| Synonym | o-nitrobenzaldehyde,benzaldehyde, 2-nitro,nitrobenzaldehyde,benzaldehyde, o-nitro,2-nitro-benzaldehyde,2-formylnitrobenzene,ccris 2322,unii-48b18q9b8e,benzaldehyde, nitro,ortho-nitrobenzaldehyde |
| IUPAC Name | 2-nitrobenzaldehyde |
| InChI Key | CMWKITSNTDAEDT-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO3 |
Dibenzylamine 97.0+%, TCI America™
CAS: 103-49-1 Molecular Formula: C14H15N Molecular Weight (g/mol): 197.28 MDL Number: MFCD00004770 InChI Key: BWLUMTFWVZZZND-UHFFFAOYSA-N Synonym: dibenzylamine,benzenemethanamine, n-phenylmethyl,n-benzylbenzylamine,bibenzylamine,dibenzyl-amine,dibenzyl amine,bisbenzylamine,n,n-dibenzylamine,n-benzylaminomethyl benzene,unii-3g0yfx01c6 PubChem CID: 7656 IUPAC Name: dibenzylamine SMILES: C(NCC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 7656 |
|---|---|
| CAS | 103-49-1 |
| Molecular Weight (g/mol) | 197.28 |
| MDL Number | MFCD00004770 |
| SMILES | C(NCC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | dibenzylamine,benzenemethanamine, n-phenylmethyl,n-benzylbenzylamine,bibenzylamine,dibenzyl-amine,dibenzyl amine,bisbenzylamine,n,n-dibenzylamine,n-benzylaminomethyl benzene,unii-3g0yfx01c6 |
| IUPAC Name | dibenzylamine |
| InChI Key | BWLUMTFWVZZZND-UHFFFAOYSA-N |
| Molecular Formula | C14H15N |
alpha-Methylstyrene (stabilized with TBC) 99.0+%, TCI America™
CAS: 98-83-9 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00008859 InChI Key: XYLMUPLGERFSHI-UHFFFAOYSA-N Synonym: alpha-methylstyrene,2-phenylpropene,2-phenyl-1-propene,isopropenylbenzene,benzene, 1-methylethenyl,2-phenylpropylene,1-methyl-1-phenylethylene,alpha-methylstyrol,as-methylphenylethylene,1-phenyl-1-methylethylene PubChem CID: 7407 ChEBI: CHEBI:35060 IUPAC Name: (prop-1-en-2-yl)benzene SMILES: CC(=C)C1=CC=CC=C1
| PubChem CID | 7407 |
|---|---|
| CAS | 98-83-9 |
| Molecular Weight (g/mol) | 118.18 |
| ChEBI | CHEBI:35060 |
| MDL Number | MFCD00008859 |
| SMILES | CC(=C)C1=CC=CC=C1 |
| Synonym | alpha-methylstyrene,2-phenylpropene,2-phenyl-1-propene,isopropenylbenzene,benzene, 1-methylethenyl,2-phenylpropylene,1-methyl-1-phenylethylene,alpha-methylstyrol,as-methylphenylethylene,1-phenyl-1-methylethylene |
| IUPAC Name | (prop-1-en-2-yl)benzene |
| InChI Key | XYLMUPLGERFSHI-UHFFFAOYSA-N |
| Molecular Formula | C9H10 |