Benzene and substituted derivatives
Filtered Search Results
Phthaldialdehyde, 98%
CAS: 643-79-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00003335 InChI Key: ZWLUXSQADUDCSB-UHFFFAOYSA-N Synonym: o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde PubChem CID: 4807 ChEBI: CHEBI:70851 IUPAC Name: phthalaldehyde SMILES: O=CC1=CC=CC=C1C=O
| PubChem CID | 4807 |
|---|---|
| CAS | 643-79-8 |
| Molecular Weight (g/mol) | 134.13 |
| ChEBI | CHEBI:70851 |
| MDL Number | MFCD00003335 |
| SMILES | O=CC1=CC=CC=C1C=O |
| Synonym | o-phthalaldehyde,o-phthaldialdehyde,benzene-1,2-dicarboxaldehyde,1,2-benzenedicarboxaldehyde,phthaldialdehyde,phthalic aldehyde,phthalic dialdehyde,phthalyldicarboxaldehyde,ortho-phthalaldehyde,o-phthaldehyde |
| IUPAC Name | phthalaldehyde |
| InChI Key | ZWLUXSQADUDCSB-UHFFFAOYSA-N |
| Molecular Formula | C8H6O2 |
Benzyl alcohol, 99%
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
| PubChem CID | 244 |
|---|---|
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
Benzophenone, 99%, pure
CAS: 119-61-9 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Synonym: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 3102 |
|---|---|
| CAS | 119-61-9 |
| Molecular Weight (g/mol) | 182.22 |
| ChEBI | CHEBI:41308 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| Synonym | benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone |
| IUPAC Name | diphenylmethanone |
| InChI Key | RWCCWEUUXYIKHB-UHFFFAOYSA-N |
| Molecular Formula | C13H10O |
4-Methoxybenzaldehyde, 98%
CAS: 123-11-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O
| PubChem CID | 31244 |
|---|---|
| CAS | 123-11-5 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28235 |
| MDL Number | MFCD00003385 |
| SMILES | COC1=CC=C(C=C1)C=O |
| Synonym | p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine |
| IUPAC Name | 4-methoxybenzaldehyde |
| InChI Key | ZRSNZINYAWTAHE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
Salicylic acid, sodium salt, 99+%, Thermo Scientific Chemicals
CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
| PubChem CID | 16760658 |
|---|---|
| CAS | 54-21-7 |
| Molecular Weight (g/mol) | 160.104 |
| ChEBI | CHEBI:9180 |
| MDL Number | MFCD00002440 |
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])O.[Na+] |
| Synonym | sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl |
| IUPAC Name | sodium;2-hydroxybenzoate |
| InChI Key | ABBQHOQBGMUPJH-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO3 |
Styrene, 99%, extra pure, stabilized
CAS: 100-42-5 Molecular Formula: C8H8 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00008612,MFCD00084450 InChI Key: PPBRXRYQALVLMV-UHFFFAOYSA-N Synonym: ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene PubChem CID: 7501 ChEBI: CHEBI:27452 IUPAC Name: styrene SMILES: C=CC1=CC=CC=C1
| PubChem CID | 7501 |
|---|---|
| CAS | 100-42-5 |
| Molecular Weight (g/mol) | 104.15 |
| ChEBI | CHEBI:27452 |
| MDL Number | MFCD00008612,MFCD00084450 |
| SMILES | C=CC1=CC=CC=C1 |
| Synonym | ethenylbenzene,phenylethylene,vinylbenzene,styrol,benzene, ethenyl,cinnamene,phenylethene,monomer,phenethylene,styrolene |
| IUPAC Name | styrene |
| InChI Key | PPBRXRYQALVLMV-UHFFFAOYSA-N |
| Molecular Formula | C8H8 |
Acetylsalicylic acid, 99%, Thermo Scientific Chemicals
CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N Synonym: aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin PubChem CID: 2244 ChEBI: CHEBI:15365 IUPAC Name: 2-acetyloxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O
| PubChem CID | 2244 |
|---|---|
| CAS | 50-78-2 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:15365 |
| MDL Number | MFCD00002430 |
| SMILES | CC(=O)OC1=CC=CC=C1C(O)=O |
| Synonym | aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin |
| IUPAC Name | 2-acetyloxybenzoic acid |
| InChI Key | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
5-Sulfosalicylic acid dihydrate, ACS, 99+%
CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd PubChem CID: 2723734 IUPAC Name: 2-hydroxy-5-sulfobenzoic acid;dihydrate SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
| PubChem CID | 2723734 |
|---|---|
| CAS | 5965-83-3 |
| Molecular Weight (g/mol) | 250.27 |
| MDL Number | MFCD00007508,MFCD00149540 |
| SMILES | C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O |
| Synonym | 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd |
| IUPAC Name | 2-hydroxy-5-sulfobenzoic acid;dihydrate |
| InChI Key | NFYHZVWMQHQKRU-UHFFFAOYSA-N |
| Molecular Formula | C9H14O6S |
Bisphenol A, 97+%
CAS: 80-05-7 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00002366 InChI Key: IISBACLAFKSPIT-UHFFFAOYSA-N Synonym: bisphenol a,2,2-bis 4-hydroxyphenyl propane,4,4'-isopropylidenediphenol,diphenylolpropane,bisphenol,diano,4,4'-bisphenol a,4,4'-propane-2,2-diyl diphenol,biphenol a,dian PubChem CID: 6623 ChEBI: CHEBI:33216 IUPAC Name: 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol SMILES: CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
| PubChem CID | 6623 |
|---|---|
| CAS | 80-05-7 |
| Molecular Weight (g/mol) | 228.29 |
| ChEBI | CHEBI:33216 |
| MDL Number | MFCD00002366 |
| SMILES | CC(C)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 |
| Synonym | bisphenol a,2,2-bis 4-hydroxyphenyl propane,4,4'-isopropylidenediphenol,diphenylolpropane,bisphenol,diano,4,4'-bisphenol a,4,4'-propane-2,2-diyl diphenol,biphenol a,dian |
| IUPAC Name | 4-[2-(4-hydroxyphenyl)propan-2-yl]phenol |
| InChI Key | IISBACLAFKSPIT-UHFFFAOYSA-N |
| Molecular Formula | C15H16O2 |
4-Aminobenzoic Acid, 99%
CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O
| PubChem CID | 978 |
|---|---|
| CAS | 150-13-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:30753 |
| MDL Number | MFCD00007894 |
| SMILES | NC1=CC=C(C=C1)C(O)=O |
| Synonym | p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino |
| IUPAC Name | 4-aminobenzoic acid |
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Tamoxifen, 98%
CAS: 10540-29-1 Molecular Formula: C26H29NO Molecular Weight (g/mol): 371.52 MDL Number: MFCD00010454 InChI Key: NKANXQFJJICGDU-QPLCGJKRSA-N Synonym: tamoxifen,trans-tamoxifen,crisafeno,soltamox,tamoxifene,diemon,tamoxifeno,tamoxifenum,citofen,istubol PubChem CID: 2733526 ChEBI: CHEBI:41774 IUPAC Name: (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine SMILES: CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
| PubChem CID | 2733526 |
|---|---|
| CAS | 10540-29-1 |
| Molecular Weight (g/mol) | 371.52 |
| ChEBI | CHEBI:41774 |
| MDL Number | MFCD00010454 |
| SMILES | CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 |
| Synonym | tamoxifen,trans-tamoxifen,crisafeno,soltamox,tamoxifene,diemon,tamoxifeno,tamoxifenum,citofen,istubol |
| IUPAC Name | (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine |
| InChI Key | NKANXQFJJICGDU-QPLCGJKRSA-N |
| Molecular Formula | C26H29NO |
o-Tolidine, 95%, pract
CAS: 119-93-7 MDL Number: MFCD00014773 InChI Key: NUIURNJTPRWVAP-UHFFFAOYSA-N Synonym: o-tolidine,3,3'-dimethylbenzidine,orthotolidine,diaminoditolyl,2-tolidine,diaminotolyl,bianisidine,3,3'-tolidine,3,3'-dimethylbiphenyl-4,4'-diamine,4,4'-bi-o-toluidine PubChem CID: 8413 ChEBI: CHEBI:34320 IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N
| PubChem CID | 8413 |
|---|---|
| CAS | 119-93-7 |
| ChEBI | CHEBI:34320 |
| MDL Number | MFCD00014773 |
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N |
| Synonym | o-tolidine,3,3'-dimethylbenzidine,orthotolidine,diaminoditolyl,2-tolidine,diaminotolyl,bianisidine,3,3'-tolidine,3,3'-dimethylbiphenyl-4,4'-diamine,4,4'-bi-o-toluidine |
| IUPAC Name | 4-(4-amino-3-methylphenyl)-2-methylaniline |
| InChI Key | NUIURNJTPRWVAP-UHFFFAOYSA-N |
Sodium phenoxide, 98%
CAS: 139-02-6 Molecular Formula: C6H5NaO Molecular Weight (g/mol): 116.10 MDL Number: MFCD00013134 InChI Key: NESLWCLHZZISNB-UHFFFAOYSA-M Synonym: sodium phenoxide,sodium phenolate,sodium phenate,phenolate sodium,sodium benzenolate,sodium carbolate,phenol sodium,phenol sodium salt,phenol, sodium salt,naoph PubChem CID: 4445035 ChEBI: CHEBI:52476 SMILES: [Na+].[O-]C1=CC=CC=C1
| PubChem CID | 4445035 |
|---|---|
| CAS | 139-02-6 |
| Molecular Weight (g/mol) | 116.10 |
| ChEBI | CHEBI:52476 |
| MDL Number | MFCD00013134 |
| SMILES | [Na+].[O-]C1=CC=CC=C1 |
| Synonym | sodium phenoxide,sodium phenolate,sodium phenate,phenolate sodium,sodium benzenolate,sodium carbolate,phenol sodium,phenol sodium salt,phenol, sodium salt,naoph |
| InChI Key | NESLWCLHZZISNB-UHFFFAOYSA-M |
| Molecular Formula | C6H5NaO |
m-Tolyl acetate, 97%
CAS: 111072-31-2 Molecular Formula: C22H16N7NaO13S2 Molecular Weight (g/mol): 673.52 MDL Number: MFCD00083517 InChI Key: JACYMBNQPPWQML-UHFFFAOYSA-M Synonym: xtt PubChem CID: 131668615 IUPAC Name: sodium;2-(2-methoxy-4-nitro-5-sulfonatophenyl)-3-(2-methoxy-4-nitro-5-sulfophenyl)-N-phenyltetrazol-3-ium-5-carboximidate SMILES: [Na+].COC1=C(C=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O)N1N=C(N=[N+]1C1=C(OC)C=C(C(=C1)S([O-])(=O)=O)[N+]([O-])=O)C(=O)NC1=CC=CC=C1
| PubChem CID | 131668615 |
|---|---|
| CAS | 111072-31-2 |
| Molecular Weight (g/mol) | 673.52 |
| MDL Number | MFCD00083517 |
| SMILES | [Na+].COC1=C(C=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O)N1N=C(N=[N+]1C1=C(OC)C=C(C(=C1)S([O-])(=O)=O)[N+]([O-])=O)C(=O)NC1=CC=CC=C1 |
| Synonym | xtt |
| IUPAC Name | sodium;2-(2-methoxy-4-nitro-5-sulfonatophenyl)-3-(2-methoxy-4-nitro-5-sulfophenyl)-N-phenyltetrazol-3-ium-5-carboximidate |
| InChI Key | JACYMBNQPPWQML-UHFFFAOYSA-M |
| Molecular Formula | C22H16N7NaO13S2 |
Benzyl chloride, 99%, stab.
CAS: 100-44-7 Molecular Formula: C7H7Cl Molecular Weight (g/mol): 126.583 MDL Number: MFCD00000889 InChI Key: KCXMKQUNVWSEMD-UHFFFAOYSA-N Synonym: benzyl chloride,chloromethyl benzene,benzylchloride,alpha-chlorotoluene,benzylchlorid,chlorophenylmethane,benzene, chloromethyl,chlorure de benzyle,tolyl chloride,alpha-chlortoluol PubChem CID: 7503 ChEBI: CHEBI:615597 IUPAC Name: chloromethylbenzene SMILES: C1=CC=C(C=C1)CCl
| PubChem CID | 7503 |
|---|---|
| CAS | 100-44-7 |
| Molecular Weight (g/mol) | 126.583 |
| ChEBI | CHEBI:615597 |
| MDL Number | MFCD00000889 |
| SMILES | C1=CC=C(C=C1)CCl |
| Synonym | benzyl chloride,chloromethyl benzene,benzylchloride,alpha-chlorotoluene,benzylchlorid,chlorophenylmethane,benzene, chloromethyl,chlorure de benzyle,tolyl chloride,alpha-chlortoluol |
| IUPAC Name | chloromethylbenzene |
| InChI Key | KCXMKQUNVWSEMD-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl |