Benzene and substituted derivatives
Benzene and substituted derivatives
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Styrene, 99.5%, for analysis, stabilized, Thermo Scientific Chemicals
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 |
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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 |
Styrene, 99%, extra pure, stabilized, Thermo Scientific Chemicals
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 |
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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 |
Benzyl Alcohol, 99%, Pure, Thermo Scientific Chemicals
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 |
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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 |
Triphenyl phosphite, 99%, Thermo Scientific Chemicals
CAS: 101-02-0 Molecular Formula: C18H15O3P Molecular Weight (g/mol): 310.28 InChI Key: HVLLSGMXQDNUAL-UHFFFAOYSA-N Synonym: phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310 PubChem CID: 7540 IUPAC Name: triphenyl phosphite SMILES: C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3
PubChem CID | 7540 |
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CAS | 101-02-0 |
Molecular Weight (g/mol) | 310.28 |
SMILES | C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3 |
Synonym | phosphorous acid, triphenyl ester,advance tpp,triphenoxyphosphine,phenyl phosphite,stabilizer p 36,trifenoxyfosfin,trifenylfosfit,phosclere t 36,efed,mellite 310 |
IUPAC Name | triphenyl phosphite |
InChI Key | HVLLSGMXQDNUAL-UHFFFAOYSA-N |
Molecular Formula | C18H15O3P |
Tetrakis(triphenylphosphine)palladium(0), 99%, Thermo Scientific Chemicals
CAS: 14221-01-3 Molecular Formula: C72H60P4Pd Molecular Weight (g/mol): 1155.59 MDL Number: MFCD00010012 InChI Key: NFHFRUOZVGFOOS-UHFFFAOYSA-N Synonym: tetrakis triphenylphosphine palladium,tetrakis triphenylphosphine palladium 0,pd pph3 4,tetrakis triphenylphosphine palladium o,tetra triphenylphosphine palladium,palladium-tetrakis triphenylphosphine,palladium 0 tetrakis triphenylphosphine,palladium, tetrakis triphenylphosphine-, t-4 PubChem CID: 11979704 IUPAC Name: palladium;triphenylphosphane SMILES: [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
PubChem CID | 11979704 |
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CAS | 14221-01-3 |
Molecular Weight (g/mol) | 1155.59 |
MDL Number | MFCD00010012 |
SMILES | [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | tetrakis triphenylphosphine palladium,tetrakis triphenylphosphine palladium 0,pd pph3 4,tetrakis triphenylphosphine palladium o,tetra triphenylphosphine palladium,palladium-tetrakis triphenylphosphine,palladium 0 tetrakis triphenylphosphine,palladium, tetrakis triphenylphosphine-, t-4 |
IUPAC Name | palladium;triphenylphosphane |
InChI Key | NFHFRUOZVGFOOS-UHFFFAOYSA-N |
Molecular Formula | C72H60P4Pd |
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 |
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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 |
2,6-Di-tert-butyl-4-methylphenol, 99.8%, Thermo Scientific Chemicals
CAS: 128-37-0 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.35 MDL Number: MFCD00011644 InChI Key: NLZUEZXRPGMBCV-UHFFFAOYSA-N Synonym: 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
PubChem CID | 31404 |
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CAS | 128-37-0 |
Molecular Weight (g/mol) | 220.35 |
ChEBI | CHEBI:34247 |
MDL Number | MFCD00011644 |
SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
Synonym | 2,6-di-tert-butyl-4-methylphenol,butylated hydroxytoluene,butylhydroxytoluene,2,6-di-tert-butyl-p-cresol,2,6-di-t-butyl-4-methylphenol,ionol,dbpc,dibunol,stavox,bht |
IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
InChI Key | NLZUEZXRPGMBCV-UHFFFAOYSA-N |
Molecular Formula | C15H24O |
1-Bromo-3-fluorobenzene, 99%, Thermo Scientific Chemicals
CAS: 1073-06-9 Molecular Formula: C6H4BrF MDL Number: MFCD00000326 InChI Key: QDFKKJYEIFBEFC-UHFFFAOYSA-N Synonym: 3-bromofluorobenzene,m-bromofluorobenzene,m-fluorobromobenzene,benzene, 1-bromo-3-fluoro,3-bromfluorbenzen,3-fluorobromobenzene,m-fluorophenyl bromide,1-fluoro-3-bromobenzene,3-fluoro bromobenzene,benzene, 1-fluoro-3-bromo PubChem CID: 14082 IUPAC Name: 1-bromo-3-fluorobenzene
PubChem CID | 14082 |
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CAS | 1073-06-9 |
MDL Number | MFCD00000326 |
Synonym | 3-bromofluorobenzene,m-bromofluorobenzene,m-fluorobromobenzene,benzene, 1-bromo-3-fluoro,3-bromfluorbenzen,3-fluorobromobenzene,m-fluorophenyl bromide,1-fluoro-3-bromobenzene,3-fluoro bromobenzene,benzene, 1-fluoro-3-bromo |
IUPAC Name | 1-bromo-3-fluorobenzene |
InChI Key | QDFKKJYEIFBEFC-UHFFFAOYSA-N |
Molecular Formula | C6H4BrF |
1,3,5-Trimethoxybenzene, 99%, Thermo Scientific Chemicals
CAS: 621-23-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00008385 InChI Key: LKUDPHPHKOZXCD-UHFFFAOYSA-N Synonym: phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259 PubChem CID: 69301 ChEBI: CHEBI:31038 IUPAC Name: 1,3,5-trimethoxybenzene SMILES: COC1=CC(OC)=CC(OC)=C1
PubChem CID | 69301 |
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CAS | 621-23-8 |
Molecular Weight (g/mol) | 168.19 |
ChEBI | CHEBI:31038 |
MDL Number | MFCD00008385 |
SMILES | COC1=CC(OC)=CC(OC)=C1 |
Synonym | phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259 |
IUPAC Name | 1,3,5-trimethoxybenzene |
InChI Key | LKUDPHPHKOZXCD-UHFFFAOYSA-N |
Molecular Formula | C9H12O3 |
p-Toluenesulfonamide, 99%, Thermo Scientific Chemicals
CAS: 70-55-3 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.21 MDL Number: MFCD00011692 InChI Key: LMYRWZFENFIFIT-UHFFFAOYSA-N Synonym: p-toluenesulfonamide,4-toluenesulfonamide,tosylamide,p-tosylamide,benzenesulfonamide, 4-methyl,p-tolylsulfonamide,toluene-4-sulfonamide,tolylsulfonamide,4-methylbenzene-1-sulfonamide,p-toluenesulfamide PubChem CID: 6269 ChEBI: CHEBI:34435 IUPAC Name: 4-methylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N
PubChem CID | 6269 |
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CAS | 70-55-3 |
Molecular Weight (g/mol) | 171.21 |
ChEBI | CHEBI:34435 |
MDL Number | MFCD00011692 |
SMILES | CC1=CC=C(C=C1)S(=O)(=O)N |
Synonym | p-toluenesulfonamide,4-toluenesulfonamide,tosylamide,p-tosylamide,benzenesulfonamide, 4-methyl,p-tolylsulfonamide,toluene-4-sulfonamide,tolylsulfonamide,4-methylbenzene-1-sulfonamide,p-toluenesulfamide |
IUPAC Name | 4-methylbenzenesulfonamide |
InChI Key | LMYRWZFENFIFIT-UHFFFAOYSA-N |
Molecular Formula | C7H9NO2S |
Cumyl hydroperoxide, 80%, Thermo Scientific Chemicals
CAS: 80-15-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002129 InChI Key: YQHLDYVWEZKEOX-UHFFFAOYSA-N Synonym: cumene hydroperoxide,cumyl hydroperoxide,hydroperoxide, 1-methyl-1-phenylethyl,cumenyl hydroperoxide,alpha,alpha-dimethylbenzyl hydroperoxide,cumolhydroperoxid,7-cumyl hydroperoxide,cumolhydroperoxide,cument hydroperoxide,hydroperoxyde de cumene PubChem CID: 6629 ChEBI: CHEBI:78673 SMILES: CC(C)(OO)C1=CC=CC=C1
PubChem CID | 6629 |
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CAS | 80-15-9 |
Molecular Weight (g/mol) | 152.19 |
ChEBI | CHEBI:78673 |
MDL Number | MFCD00002129 |
SMILES | CC(C)(OO)C1=CC=CC=C1 |
Synonym | cumene hydroperoxide,cumyl hydroperoxide,hydroperoxide, 1-methyl-1-phenylethyl,cumenyl hydroperoxide,alpha,alpha-dimethylbenzyl hydroperoxide,cumolhydroperoxid,7-cumyl hydroperoxide,cumolhydroperoxide,cument hydroperoxide,hydroperoxyde de cumene |
InChI Key | YQHLDYVWEZKEOX-UHFFFAOYSA-N |
Molecular Formula | C9H12O2 |
2-Phenoxyethanol, 99%, Thermo Scientific Chemicals
CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO
PubChem CID | 31236 |
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CAS | 122-99-6 |
Molecular Weight (g/mol) | 138.17 |
ChEBI | CHEBI:64275 |
MDL Number | MFCD00002857 |
SMILES | C1=CC=C(C=C1)OCCO |
Synonym | phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane |
IUPAC Name | 2-phenoxyethanol |
InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
Molecular Formula | C8H10O2 |
Benzyl bromide, 99%, Thermo Scientific Chemicals
CAS: 100-39-0 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.037 MDL Number: MFCD00000172 InChI Key: AGEZXYOZHKGVCM-UHFFFAOYSA-N Synonym: benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite PubChem CID: 7498 ChEBI: CHEBI:59858 IUPAC Name: bromomethylbenzene SMILES: C1=CC=C(C=C1)CBr
PubChem CID | 7498 |
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CAS | 100-39-0 |
Molecular Weight (g/mol) | 171.037 |
ChEBI | CHEBI:59858 |
MDL Number | MFCD00000172 |
SMILES | C1=CC=C(C=C1)CBr |
Synonym | benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite |
IUPAC Name | bromomethylbenzene |
InChI Key | AGEZXYOZHKGVCM-UHFFFAOYSA-N |
Molecular Formula | C7H7Br |
p-Anisaldehyde, 99+%, Thermo Scientific Chemicals
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 |
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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 |
Phthaldialdehyde, 98%, Thermo Scientific Chemicals
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 |
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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 |