Benzenoids
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1-Bromo-3,5-bis(tert-butylthio)benzene 98.0+%, TCI America™
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CAS: 795274-44-1 Molecular Formula: C14H21BrS2 Molecular Weight (g/mol): 333.35 MDL Number: MFCD08276293 InChI Key: VLQVYTYMAXNJGM-UHFFFAOYSA-N Synonym: 3,5-Bis(tert-butylthio)-1-bromobenzene PubChem CID: 11739095 IUPAC Name: 1-bromo-3,5-bis(tert-butylsulfanyl)benzene SMILES: CC(C)(C)SC1=CC(SC(C)(C)C)=CC(Br)=C1
| PubChem CID | 11739095 |
|---|---|
| CAS | 795274-44-1 |
| Molecular Weight (g/mol) | 333.35 |
| MDL Number | MFCD08276293 |
| SMILES | CC(C)(C)SC1=CC(SC(C)(C)C)=CC(Br)=C1 |
| Synonym | 3,5-Bis(tert-butylthio)-1-bromobenzene |
| IUPAC Name | 1-bromo-3,5-bis(tert-butylsulfanyl)benzene |
| InChI Key | VLQVYTYMAXNJGM-UHFFFAOYSA-N |
| Molecular Formula | C14H21BrS2 |
2-Chloroanthracene 98.0+%, TCI America™
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CAS: 17135-78-3 Molecular Formula: C14H9Cl Molecular Weight (g/mol): 212.676 InChI Key: OWFINXQLBMJDJQ-UHFFFAOYSA-N Synonym: anthracene, 2-chloro,ccris 5549,.beta.-chloro anthracene,2-chloroanthracene,acmc-1c5s8,dsstox_cid_29086,dsstox_rid_83305,dsstox_gsid_49230,4-05-00-02292 beilstein handbook reference,owfinxqlbmjdjq-uhfffaoysa PubChem CID: 28308 IUPAC Name: 2-chloroanthracene SMILES: C1=CC=C2C=C3C=C(C=CC3=CC2=C1)Cl
| PubChem CID | 28308 |
|---|---|
| CAS | 17135-78-3 |
| Molecular Weight (g/mol) | 212.676 |
| SMILES | C1=CC=C2C=C3C=C(C=CC3=CC2=C1)Cl |
| Synonym | anthracene, 2-chloro,ccris 5549,.beta.-chloro anthracene,2-chloroanthracene,acmc-1c5s8,dsstox_cid_29086,dsstox_rid_83305,dsstox_gsid_49230,4-05-00-02292 beilstein handbook reference,owfinxqlbmjdjq-uhfffaoysa |
| IUPAC Name | 2-chloroanthracene |
| InChI Key | OWFINXQLBMJDJQ-UHFFFAOYSA-N |
| Molecular Formula | C14H9Cl |
4-Phenoxybenzoic Acid 98.0+%, TCI America™
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CAS: 2215-77-2 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00002539 InChI Key: RYAQFHLUEMJOMF-UHFFFAOYSA-N Synonym: p-phenoxybenzoic acid,benzoic acid, 4-phenoxy,diphenyl ether 4-carboxylic acid,4-phenoxy-benzoic acid,4-carboxybiphenyl ether,4-carboxydiphenyl ether,benzoic acid, p-phenoxy,p-carboxydiphenyl ether,4-phenoxy benzoic acid,4-phoc6h4cooh PubChem CID: 75182 ChEBI: CHEBI:72632 IUPAC Name: 4-phenoxybenzoic acid SMILES: OC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
| PubChem CID | 75182 |
|---|---|
| CAS | 2215-77-2 |
| Molecular Weight (g/mol) | 214.22 |
| ChEBI | CHEBI:72632 |
| MDL Number | MFCD00002539 |
| SMILES | OC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1 |
| Synonym | p-phenoxybenzoic acid,benzoic acid, 4-phenoxy,diphenyl ether 4-carboxylic acid,4-phenoxy-benzoic acid,4-carboxybiphenyl ether,4-carboxydiphenyl ether,benzoic acid, p-phenoxy,p-carboxydiphenyl ether,4-phenoxy benzoic acid,4-phoc6h4cooh |
| IUPAC Name | 4-phenoxybenzoic acid |
| InChI Key | RYAQFHLUEMJOMF-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
Acenaphthylene 94.0+%, TCI America™
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CAS: 208-96-8 Molecular Formula: C12H8 Molecular Weight (g/mol): 152.20 MDL Number: MFCD00003806 InChI Key: HXGDTGSAIMULJN-UHFFFAOYSA-N Synonym: acenaphthalene,cyclopenta de naphthalene,dsstox_cid_3845,dsstox_rid_77204,dsstox_gsid_23845,acenaphthylen,acenaphthylene, radical ion 1-,acenaphthylene PubChem CID: 9161 ChEBI: CHEBI:33081 IUPAC Name: acenaphthylene SMILES: C1=CC2=C3C1=CC=CC3=CC=C2
| PubChem CID | 9161 |
|---|---|
| CAS | 208-96-8 |
| Molecular Weight (g/mol) | 152.20 |
| ChEBI | CHEBI:33081 |
| MDL Number | MFCD00003806 |
| SMILES | C1=CC2=C3C1=CC=CC3=CC=C2 |
| Synonym | acenaphthalene,cyclopenta de naphthalene,dsstox_cid_3845,dsstox_rid_77204,dsstox_gsid_23845,acenaphthylen,acenaphthylene, radical ion 1-,acenaphthylene |
| IUPAC Name | acenaphthylene |
| InChI Key | HXGDTGSAIMULJN-UHFFFAOYSA-N |
| Molecular Formula | C12H8 |
4-Phenylbenzophenone 98.0+%, TCI America™
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CAS: 2128-93-0 Molecular Formula: C19H14O Molecular Weight (g/mol): 258.32 MDL Number: MFCD00003079 InChI Key: LYXOWKPVTCPORE-UHFFFAOYSA-N Synonym: 4-benzoylbiphenyl,4-phenylbenzophenone,p-phenylbenzophenone,benzophenone, 4-phenyl,p-benzoylbiphenyl,4-diphenyl phenyl ketone,p-biphenylyl phenyl ketone,trigonal 12,4-biphenylyl phenyl ketone,methanone, 1,1'-biphenyl-4-ylphenyl PubChem CID: 75040 IUPAC Name: phenyl-(4-phenylphenyl)methanone SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3
| PubChem CID | 75040 |
|---|---|
| CAS | 2128-93-0 |
| Molecular Weight (g/mol) | 258.32 |
| MDL Number | MFCD00003079 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3 |
| Synonym | 4-benzoylbiphenyl,4-phenylbenzophenone,p-phenylbenzophenone,benzophenone, 4-phenyl,p-benzoylbiphenyl,4-diphenyl phenyl ketone,p-biphenylyl phenyl ketone,trigonal 12,4-biphenylyl phenyl ketone,methanone, 1,1'-biphenyl-4-ylphenyl |
| IUPAC Name | phenyl-(4-phenylphenyl)methanone |
| InChI Key | LYXOWKPVTCPORE-UHFFFAOYSA-N |
| Molecular Formula | C19H14O |
Diphenyl alpha-Chlorobenzylphosphonate 98.0+%, TCI America™
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CAS: 58263-67-5 Molecular Formula: C19H16ClO3P Molecular Weight (g/mol): 358.76 MDL Number: MFCD00159438 InChI Key: LTRZPFCYQMGZGD-UHFFFAOYNA-N Synonym: alpha-Chlorobenzylphosphonic Acid Diphenyl Ester PubChem CID: 277711 IUPAC Name: diphenyl [chloro(phenyl)methyl]phosphonate SMILES: ClC(C1=CC=CC=C1)P(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
| PubChem CID | 277711 |
|---|---|
| CAS | 58263-67-5 |
| Molecular Weight (g/mol) | 358.76 |
| MDL Number | MFCD00159438 |
| SMILES | ClC(C1=CC=CC=C1)P(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1 |
| Synonym | alpha-Chlorobenzylphosphonic Acid Diphenyl Ester |
| IUPAC Name | diphenyl [chloro(phenyl)methyl]phosphonate |
| InChI Key | LTRZPFCYQMGZGD-UHFFFAOYNA-N |
| Molecular Formula | C19H16ClO3P |
Trichloro[3-(pentafluorophenyl)propyl]silane 98.0+%, TCI America™
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CAS: 78900-02-4 Molecular Formula: C9H6Cl3F5Si Molecular Weight (g/mol): 343.574 MDL Number: MFCD01074474 InChI Key: PGOAAUBOHVGLCX-UHFFFAOYSA-N PubChem CID: 2760298 IUPAC Name: trichloro-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane SMILES: C(CC1=C(C(=C(C(=C1F)F)F)F)F)C[Si](Cl)(Cl)Cl
| PubChem CID | 2760298 |
|---|---|
| CAS | 78900-02-4 |
| Molecular Weight (g/mol) | 343.574 |
| MDL Number | MFCD01074474 |
| SMILES | C(CC1=C(C(=C(C(=C1F)F)F)F)F)C[Si](Cl)(Cl)Cl |
| IUPAC Name | trichloro-[3-(2,3,4,5,6-pentafluorophenyl)propyl]silane |
| InChI Key | PGOAAUBOHVGLCX-UHFFFAOYSA-N |
| Molecular Formula | C9H6Cl3F5Si |
4-Chloro-3-nitrobenzaldehyde 95.0+%, TCI America™
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CAS: 16588-34-4 Molecular Formula: C7H4ClNO3 Molecular Weight (g/mol): 185.56 MDL Number: MFCD00007078 InChI Key: HETBKLHJEWXWBM-UHFFFAOYSA-N Synonym: 3-nitro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-3-nitro,chembl51664,4-chloro-3-nitro-benzaldehyde,pubchem14274,acmc-1c7bn,3nitro-4-chlorobenzaldehyde,asischem r36965,dsstox_cid_24846,dsstox_rid_80526 PubChem CID: 85505 IUPAC Name: 4-chloro-3-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC(C=O)=CC=C1Cl
| PubChem CID | 85505 |
|---|---|
| CAS | 16588-34-4 |
| Molecular Weight (g/mol) | 185.56 |
| MDL Number | MFCD00007078 |
| SMILES | [O-][N+](=O)C1=CC(C=O)=CC=C1Cl |
| Synonym | 3-nitro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-3-nitro,chembl51664,4-chloro-3-nitro-benzaldehyde,pubchem14274,acmc-1c7bn,3nitro-4-chlorobenzaldehyde,asischem r36965,dsstox_cid_24846,dsstox_rid_80526 |
| IUPAC Name | 4-chloro-3-nitrobenzaldehyde |
| InChI Key | HETBKLHJEWXWBM-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO3 |
tert-Butyl [Bis(4-methoxyphenyl)phosphinyloxy]carbamate 95.0+%, TCI America™
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CAS: 619333-95-8 Molecular Formula: C19H24NO6P Molecular Weight (g/mol): 393.38 MDL Number: MFCD08276321 InChI Key: BNMBQDIFMJFRAF-UHFFFAOYSA-N Synonym: [Bis(4-methoxyphenyl)phosphinyloxy]carbamic Acid tert-Butyl Ester, O-[Bis(4-methoxyphenyl)phosphinyl]-N-Boc-hydroxylamine, O-[Bis(4-methoxyphenyl)phosphinyl]-N-(tert-butoxycarbonyl)hydroxylamine PubChem CID: 44629804 IUPAC Name: tert-butyl N-{[bis(4-methoxyphenyl)phosphoroso]oxy}carbamate SMILES: COC1=CC=C(C=C1)P(=O)(ONC(=O)OC(C)(C)C)C1=CC=C(OC)C=C1
| PubChem CID | 44629804 |
|---|---|
| CAS | 619333-95-8 |
| Molecular Weight (g/mol) | 393.38 |
| MDL Number | MFCD08276321 |
| SMILES | COC1=CC=C(C=C1)P(=O)(ONC(=O)OC(C)(C)C)C1=CC=C(OC)C=C1 |
| Synonym | [Bis(4-methoxyphenyl)phosphinyloxy]carbamic Acid tert-Butyl Ester, O-[Bis(4-methoxyphenyl)phosphinyl]-N-Boc-hydroxylamine, O-[Bis(4-methoxyphenyl)phosphinyl]-N-(tert-butoxycarbonyl)hydroxylamine |
| IUPAC Name | tert-butyl N-{[bis(4-methoxyphenyl)phosphoroso]oxy}carbamate |
| InChI Key | BNMBQDIFMJFRAF-UHFFFAOYSA-N |
| Molecular Formula | C19H24NO6P |
2-Bromo-3-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 573-54-6 Molecular Formula: C7H4BrNO4 Molecular Weight (g/mol): 246.016 MDL Number: MFCD00074899 InChI Key: WTDJEGSXLFHZPY-UHFFFAOYSA-N Synonym: 2-bromo-3-nitrobenzoic acid,benzoic acid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoicacid,2-bromo-3-nitro-benzoic acid,pubchem4714,acmc-1an8y,ksc273m5t,benzoicacid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoic acid, technical grade PubChem CID: 68452 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O
| PubChem CID | 68452 |
|---|---|
| CAS | 573-54-6 |
| Molecular Weight (g/mol) | 246.016 |
| MDL Number | MFCD00074899 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)O |
| Synonym | 2-bromo-3-nitrobenzoic acid,benzoic acid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoicacid,2-bromo-3-nitro-benzoic acid,pubchem4714,acmc-1an8y,ksc273m5t,benzoicacid, 2-bromo-3-nitro,2-bromo-3-nitrobenzoic acid, technical grade |
| InChI Key | WTDJEGSXLFHZPY-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO4 |
Bis(4-bromophenyl)phenylphosphine Oxide 98.0+%, TCI America™
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CAS: 93869-52-4 Molecular Formula: C18H13Br2OP Molecular Weight (g/mol): 436.083 InChI Key: URGNHDJCYWEAKG-UHFFFAOYSA-N PubChem CID: 15469924 IUPAC Name: 1-bromo-4-[(4-bromophenyl)-phenylphosphoryl]benzene SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br
| PubChem CID | 15469924 |
|---|---|
| CAS | 93869-52-4 |
| Molecular Weight (g/mol) | 436.083 |
| SMILES | C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br |
| IUPAC Name | 1-bromo-4-[(4-bromophenyl)-phenylphosphoryl]benzene |
| InChI Key | URGNHDJCYWEAKG-UHFFFAOYSA-N |
| Molecular Formula | C18H13Br2OP |
4-Methoxy-2-nitrobenzenesulfonyl Chloride 93.0+%, TCI America™
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CAS: 18092-54-1 Molecular Formula: C7H6ClNO5S Molecular Weight (g/mol): 251.637 MDL Number: MFCD00143333 InChI Key: OGHAPVZVXLHURO-UHFFFAOYSA-N PubChem CID: 87452 IUPAC Name: 4-methoxy-2-nitrobenzenesulfonyl chloride SMILES: COC1=CC(=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]
| PubChem CID | 87452 |
|---|---|
| CAS | 18092-54-1 |
| Molecular Weight (g/mol) | 251.637 |
| MDL Number | MFCD00143333 |
| SMILES | COC1=CC(=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-] |
| IUPAC Name | 4-methoxy-2-nitrobenzenesulfonyl chloride |
| InChI Key | OGHAPVZVXLHURO-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO5S |
2-Hydroxy-N-methylbenzylamine Hydrochloride 98.0+%, TCI America™
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CAS: 60399-02-2 Molecular Formula: C8H12ClNO Molecular Weight (g/mol): 173.64 MDL Number: MFCD00142934 InChI Key: UDXXNWDSBJINMV-UHFFFAOYSA-N Synonym: alpha-Methylamino-o-cresol Hydrochloride, 2-(Methylaminomethyl)phenol Hydrochloride, N-Methyl-2-hydroxybenzylamine Hydrochloride PubChem CID: 44630388 IUPAC Name: 2-(methylaminomethyl)phenol;hydrochloride SMILES: CNCC1=CC=CC=C1O.Cl
| PubChem CID | 44630388 |
|---|---|
| CAS | 60399-02-2 |
| Molecular Weight (g/mol) | 173.64 |
| MDL Number | MFCD00142934 |
| SMILES | CNCC1=CC=CC=C1O.Cl |
| Synonym | alpha-Methylamino-o-cresol Hydrochloride, 2-(Methylaminomethyl)phenol Hydrochloride, N-Methyl-2-hydroxybenzylamine Hydrochloride |
| IUPAC Name | 2-(methylaminomethyl)phenol;hydrochloride |
| InChI Key | UDXXNWDSBJINMV-UHFFFAOYSA-N |
| Molecular Formula | C8H12ClNO |
3,4-Dihydroxybenzonitrile 98.0+%, TCI America™
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CAS: 17345-61-8 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.122 MDL Number: MFCD00016436 InChI Key: NUWHYWYSMAPBHK-UHFFFAOYSA-N Synonym: protocatachuonitrile,3,4-dihydroxy benzonitrile,3,4-dihydroxybenzenecarbonitrile,protocatechuonitrile,4-cyanocatechol,protocatechunitrile,4-cyanopyrocatechol,pubchem3120,acmc-209e6q,3, 4-dihydroxybenzonitrile PubChem CID: 87065 IUPAC Name: 3,4-dihydroxybenzonitrile SMILES: C1=CC(=C(C=C1C#N)O)O
| PubChem CID | 87065 |
|---|---|
| CAS | 17345-61-8 |
| Molecular Weight (g/mol) | 135.122 |
| MDL Number | MFCD00016436 |
| SMILES | C1=CC(=C(C=C1C#N)O)O |
| Synonym | protocatachuonitrile,3,4-dihydroxy benzonitrile,3,4-dihydroxybenzenecarbonitrile,protocatechuonitrile,4-cyanocatechol,protocatechunitrile,4-cyanopyrocatechol,pubchem3120,acmc-209e6q,3, 4-dihydroxybenzonitrile |
| IUPAC Name | 3,4-dihydroxybenzonitrile |
| InChI Key | NUWHYWYSMAPBHK-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO2 |
(4-Bromophenyl)phosphonic Acid 98.0+%, TCI America™
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CAS: 16839-13-7 Molecular Formula: C6H6BrO3P Molecular Weight (g/mol): 236.989 MDL Number: MFCD00159409 InChI Key: XDGIQCFWQNHSMV-UHFFFAOYSA-N PubChem CID: 95011 IUPAC Name: (4-bromophenyl)phosphonic acid SMILES: C1=CC(=CC=C1P(=O)(O)O)Br
| PubChem CID | 95011 |
|---|---|
| CAS | 16839-13-7 |
| Molecular Weight (g/mol) | 236.989 |
| MDL Number | MFCD00159409 |
| SMILES | C1=CC(=CC=C1P(=O)(O)O)Br |
| IUPAC Name | (4-bromophenyl)phosphonic acid |
| InChI Key | XDGIQCFWQNHSMV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrO3P |