Benzenoids
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2-Bromo-5-fluorobenzaldehyde 95.0+%, TCI America™
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CAS: 94569-84-3 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00142872 InChI Key: CJUCIKJLMFVWIS-UHFFFAOYSA-N Synonym: benzaldehyde, 2-bromo-5-fluoro,2-bromo-5-fluorobenzaldhyde,5-fluoro-2-bromo benzaldehyde,2-bromo-5-fluoro-benzaldehyde,pubchem1418,acmc-209rsk,ksc494g0d,2-bromo-5-fluoro benzaldehyde,2-bromo-5-fluorobenzaldehyde PubChem CID: 2773321 IUPAC Name: 2-bromo-5-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1F)C=O)Br
| PubChem CID | 2773321 |
|---|---|
| CAS | 94569-84-3 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00142872 |
| SMILES | C1=CC(=C(C=C1F)C=O)Br |
| Synonym | benzaldehyde, 2-bromo-5-fluoro,2-bromo-5-fluorobenzaldhyde,5-fluoro-2-bromo benzaldehyde,2-bromo-5-fluoro-benzaldehyde,pubchem1418,acmc-209rsk,ksc494g0d,2-bromo-5-fluoro benzaldehyde,2-bromo-5-fluorobenzaldehyde |
| IUPAC Name | 2-bromo-5-fluorobenzaldehyde |
| InChI Key | CJUCIKJLMFVWIS-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
Ethynyl(phenyl)iodonium Tetrafluoroborate 97.0+%, TCI America™
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CAS: 127783-34-0 Molecular Formula: C8H6BF4I Molecular Weight (g/mol): 315.844 MDL Number: MFCD00191648 InChI Key: AVSBPVBKCONUGF-UHFFFAOYSA-N PubChem CID: 2758943 IUPAC Name: ethynyl(phenyl)iodanium;tetrafluoroborate SMILES: [B-](F)(F)(F)F.C#C[I+]C1=CC=CC=C1
| PubChem CID | 2758943 |
|---|---|
| CAS | 127783-34-0 |
| Molecular Weight (g/mol) | 315.844 |
| MDL Number | MFCD00191648 |
| SMILES | [B-](F)(F)(F)F.C#C[I+]C1=CC=CC=C1 |
| IUPAC Name | ethynyl(phenyl)iodanium;tetrafluoroborate |
| InChI Key | AVSBPVBKCONUGF-UHFFFAOYSA-N |
| Molecular Formula | C8H6BF4I |
Rhapontigenin 98.0+%, TCI America™
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CAS: 500-65-2 Molecular Formula: C15H14O4 Molecular Weight (g/mol): 258.27 MDL Number: MFCD00017718 InChI Key: PHMHDRYYFAYWEG-UHFFFAOYSA-N Synonym: 3,3′C,5-Trihydroxy-4′C-methoxy-trans-stilbene, trans-1-(3,5-Dihydroxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)ethylene PubChem CID: 5320954 IUPAC Name: 5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol SMILES: COC1=C(O)C=C(C=CC2=CC(O)=CC(O)=C2)C=C1
| PubChem CID | 5320954 |
|---|---|
| CAS | 500-65-2 |
| Molecular Weight (g/mol) | 258.27 |
| MDL Number | MFCD00017718 |
| SMILES | COC1=C(O)C=C(C=CC2=CC(O)=CC(O)=C2)C=C1 |
| Synonym | 3,3′C,5-Trihydroxy-4′C-methoxy-trans-stilbene, trans-1-(3,5-Dihydroxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)ethylene |
| IUPAC Name | 5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol |
| InChI Key | PHMHDRYYFAYWEG-UHFFFAOYSA-N |
| Molecular Formula | C15H14O4 |
Ethyl 2,4,6-Trimethylbenzoate 95.0+%, TCI America™
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CAS: 1754-55-8 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00015439 InChI Key: ZXTXIZPSMQCYBN-UHFFFAOYSA-N Synonym: 2,4,6-Trimethylbenzoic Acid Ethyl Ester, Ethyl Mesitylenecarboxylate, Mesitylenecarboxylic Acid Ethyl Ester PubChem CID: 74465 IUPAC Name: ethyl 2,4,6-trimethylbenzoate SMILES: CCOC(=O)C1=C(C=C(C=C1C)C)C
| PubChem CID | 74465 |
|---|---|
| CAS | 1754-55-8 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00015439 |
| SMILES | CCOC(=O)C1=C(C=C(C=C1C)C)C |
| Synonym | 2,4,6-Trimethylbenzoic Acid Ethyl Ester, Ethyl Mesitylenecarboxylate, Mesitylenecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 2,4,6-trimethylbenzoate |
| InChI Key | ZXTXIZPSMQCYBN-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
DL-4-Hydroxymandelic Acid Monohydrate 98.0+%, TCI America™
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CAS: 184901-84-6 Molecular Formula: C8H10O5 Molecular Weight (g/mol): 186.163 MDL Number: MFCD00149283 InChI Key: ATPBHLAWGXOMOR-UHFFFAOYSA-N Synonym: 2-hydroxy-2-4-hydroxyphenyl acetic acid hydrate,4-hydroxymandelic acid monohydrate,dl-4-hydroxymandelic acid monohydrate,4-hydroxymandelic acid hydrate,3-hydroxymandelic acid monohydrate,hydroxy 4-hydroxyphenyl acetic acid-water 1/1,hydroxy-4-hydroxy-phenyl-acetic acid monohydrate,benzeneacetic acid, a,4-dihydroxy-, hydrate 1:1 PubChem CID: 12677290 IUPAC Name: 2-hydroxy-2-(4-hydroxyphenyl)acetic acid;hydrate SMILES: C1=CC(=CC=C1C(C(=O)O)O)O.O
| PubChem CID | 12677290 |
|---|---|
| CAS | 184901-84-6 |
| Molecular Weight (g/mol) | 186.163 |
| MDL Number | MFCD00149283 |
| SMILES | C1=CC(=CC=C1C(C(=O)O)O)O.O |
| Synonym | 2-hydroxy-2-4-hydroxyphenyl acetic acid hydrate,4-hydroxymandelic acid monohydrate,dl-4-hydroxymandelic acid monohydrate,4-hydroxymandelic acid hydrate,3-hydroxymandelic acid monohydrate,hydroxy 4-hydroxyphenyl acetic acid-water 1/1,hydroxy-4-hydroxy-phenyl-acetic acid monohydrate,benzeneacetic acid, a,4-dihydroxy-, hydrate 1:1 |
| IUPAC Name | 2-hydroxy-2-(4-hydroxyphenyl)acetic acid;hydrate |
| InChI Key | ATPBHLAWGXOMOR-UHFFFAOYSA-N |
| Molecular Formula | C8H10O5 |
3-(Trifluoromethyl)phenyl Isocyanate 96.0+%, TCI America™
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CAS: 329-01-1 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.12 MDL Number: MFCD00002020 InChI Key: SXJYSIBLFGQAND-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenyl isocyanate,1-isocyanato-3-trifluoromethyl benzene,benzene, 1-isocyanato-3-trifluoromethyl,a,a,a-trifluoro-m-tolyl isocyanate,isocyanobenzotrifluoride,unii-qps7llz6xm,3-trifluoromethylphenyl isocyanate,alpha,alpha,alpha-trifluoro-m-tolyl isocyanate,3-trifluoromethyl phenylisocyanate,qps7llz6xm PubChem CID: 9483 IUPAC Name: 1-isocyanato-3-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=CC(=C1)N=C=O
| PubChem CID | 9483 |
|---|---|
| CAS | 329-01-1 |
| Molecular Weight (g/mol) | 187.12 |
| MDL Number | MFCD00002020 |
| SMILES | FC(F)(F)C1=CC=CC(=C1)N=C=O |
| Synonym | 3-trifluoromethyl phenyl isocyanate,1-isocyanato-3-trifluoromethyl benzene,benzene, 1-isocyanato-3-trifluoromethyl,a,a,a-trifluoro-m-tolyl isocyanate,isocyanobenzotrifluoride,unii-qps7llz6xm,3-trifluoromethylphenyl isocyanate,alpha,alpha,alpha-trifluoro-m-tolyl isocyanate,3-trifluoromethyl phenylisocyanate,qps7llz6xm |
| IUPAC Name | 1-isocyanato-3-(trifluoromethyl)benzene |
| InChI Key | SXJYSIBLFGQAND-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO |
2-Acetyl-7-hydroxybenzofuran 98.0+%, TCI America™
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CAS: 40020-87-9 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00191373 InChI Key: HRIVIHCUSKDPNK-UHFFFAOYSA-N Synonym: 2-Acetyl-7-hydroxycoumarone PubChem CID: 595329 IUPAC Name: 1-(7-hydroxy-1-benzofuran-2-yl)ethan-1-one SMILES: CC(=O)C1=CC2=CC=CC(O)=C2O1
| PubChem CID | 595329 |
|---|---|
| CAS | 40020-87-9 |
| Molecular Weight (g/mol) | 176.17 |
| MDL Number | MFCD00191373 |
| SMILES | CC(=O)C1=CC2=CC=CC(O)=C2O1 |
| Synonym | 2-Acetyl-7-hydroxycoumarone |
| IUPAC Name | 1-(7-hydroxy-1-benzofuran-2-yl)ethan-1-one |
| InChI Key | HRIVIHCUSKDPNK-UHFFFAOYSA-N |
| Molecular Formula | C10H8O3 |
3,4,5-Trichlorobenzotrifluoride 98.0+%, TCI America™
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CAS: 50594-82-6 Molecular Formula: C7H2Cl3F3 Molecular Weight (g/mol): 249.438 InChI Key: FBKFIAIRSQOXJR-UHFFFAOYSA-N Synonym: 1,2,3-trichloro-5-trifluoromethyl benzene,3,4,5-trichlorobenzotrifluoride,3,4,5-trichlorotrifluoromethylbenzene,3,4,5-trichloro-alpha,alpha,alpha-trifluorotoluene,3,4,5-trichloro-a,a,a-trifluorotoluene,benzene, 1,2,3-trichloro-5-trifluoromethyl,pubchem19737,ksc914i9j,3,4,5-trichloro benzotrifluoride PubChem CID: 2733399 IUPAC Name: 1,2,3-trichloro-5-(trifluoromethyl)benzene SMILES: C1=C(C=C(C(=C1Cl)Cl)Cl)C(F)(F)F
| PubChem CID | 2733399 |
|---|---|
| CAS | 50594-82-6 |
| Molecular Weight (g/mol) | 249.438 |
| SMILES | C1=C(C=C(C(=C1Cl)Cl)Cl)C(F)(F)F |
| Synonym | 1,2,3-trichloro-5-trifluoromethyl benzene,3,4,5-trichlorobenzotrifluoride,3,4,5-trichlorotrifluoromethylbenzene,3,4,5-trichloro-alpha,alpha,alpha-trifluorotoluene,3,4,5-trichloro-a,a,a-trifluorotoluene,benzene, 1,2,3-trichloro-5-trifluoromethyl,pubchem19737,ksc914i9j,3,4,5-trichloro benzotrifluoride |
| IUPAC Name | 1,2,3-trichloro-5-(trifluoromethyl)benzene |
| InChI Key | FBKFIAIRSQOXJR-UHFFFAOYSA-N |
| Molecular Formula | C7H2Cl3F3 |
4-Fluorobenzenesulfonamide 98.0+%, TCI America™
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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 |
3-Bromo-4-fluorobenzaldehyde 97.0+%, TCI America™
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CAS: 77771-02-9 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00042186 InChI Key: FAHZIKXYYRGSHF-UHFFFAOYSA-N Synonym: 4-fluoro-3-bromobenzaldehyde,benzaldehyde, 3-bromo-4-fluoro,3-bromo-4-fluoro-benzaldehyde,3-bromo-4-fluoro benzaldehyde,pubchem2878,acmc-209pbm,3-bromo4fluorobenzaldehyde,3-bromo-4fluorobenzaldehyde,3-bromo4-fluorobenzaldehyde,3bromo-4-fluorobenzaldehyde PubChem CID: 173604 IUPAC Name: 3-bromo-4-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)Br)F
| PubChem CID | 173604 |
|---|---|
| CAS | 77771-02-9 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00042186 |
| SMILES | C1=CC(=C(C=C1C=O)Br)F |
| Synonym | 4-fluoro-3-bromobenzaldehyde,benzaldehyde, 3-bromo-4-fluoro,3-bromo-4-fluoro-benzaldehyde,3-bromo-4-fluoro benzaldehyde,pubchem2878,acmc-209pbm,3-bromo4fluorobenzaldehyde,3-bromo-4fluorobenzaldehyde,3-bromo4-fluorobenzaldehyde,3bromo-4-fluorobenzaldehyde |
| IUPAC Name | 3-bromo-4-fluorobenzaldehyde |
| InChI Key | FAHZIKXYYRGSHF-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II) 98.0+%, TCI America™
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CAS: 205319-10-4 Molecular Formula: C39H32Cl2OP2Pd Molecular Weight (g/mol): 755.95 MDL Number: MFCD14155707 InChI Key: MNBAPNBMBOYNAW-UHFFFAOYSA-L Synonym: dichloro 9,9-dimethyl-4,5-bis diphenylphosphino xanthene palladium ii,palladium 2+ xantphos dichloride,4,5-bis diphenylphosphino-9,9-dimethylxanthene dichloropalladium ii,4,5-bis diphenylphosphino-9,9-dimethylxanthene palladium ii dichloride PubChem CID: 86280406 IUPAC Name: [5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphane; dichloropalladiumbis(ylium) SMILES: Cl[Pd++]Cl.CC1(C)C2=C(OC3=C1C=CC=C3P(C1=CC=CC=C1)C1=CC=CC=C1)C(=CC=C2)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 86280406 |
|---|---|
| CAS | 205319-10-4 |
| Molecular Weight (g/mol) | 755.95 |
| MDL Number | MFCD14155707 |
| SMILES | Cl[Pd++]Cl.CC1(C)C2=C(OC3=C1C=CC=C3P(C1=CC=CC=C1)C1=CC=CC=C1)C(=CC=C2)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | dichloro 9,9-dimethyl-4,5-bis diphenylphosphino xanthene palladium ii,palladium 2+ xantphos dichloride,4,5-bis diphenylphosphino-9,9-dimethylxanthene dichloropalladium ii,4,5-bis diphenylphosphino-9,9-dimethylxanthene palladium ii dichloride |
| IUPAC Name | [5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]diphenylphosphane; dichloropalladiumbis(ylium) |
| InChI Key | MNBAPNBMBOYNAW-UHFFFAOYSA-L |
| Molecular Formula | C39H32Cl2OP2Pd |
2,6-Difluorophenylacetic Acid 98.0+%, TCI America™
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CAS: 85068-28-6 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00010001 InChI Key: FUGDCKXBUZFEON-UHFFFAOYSA-N Synonym: 2,6-difluorophenylacetic acid,2-2,6-difluorophenyl acetic acid,2,6-difluorophenyl acetic acid,2,6-difluoro-benzene acetic acid,benzeneacetic acid, 2,6-difluoro,2,6-difluorophenylaceticacid,pubchem8397,acmc-209xw7,rarechem al bo 0249 PubChem CID: 123585 IUPAC Name: 2-(2,6-difluorophenyl)acetic acid SMILES: C1=CC(=C(C(=C1)F)CC(=O)O)F
| PubChem CID | 123585 |
|---|---|
| CAS | 85068-28-6 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD00010001 |
| SMILES | C1=CC(=C(C(=C1)F)CC(=O)O)F |
| Synonym | 2,6-difluorophenylacetic acid,2-2,6-difluorophenyl acetic acid,2,6-difluorophenyl acetic acid,2,6-difluoro-benzene acetic acid,benzeneacetic acid, 2,6-difluoro,2,6-difluorophenylaceticacid,pubchem8397,acmc-209xw7,rarechem al bo 0249 |
| IUPAC Name | 2-(2,6-difluorophenyl)acetic acid |
| InChI Key | FUGDCKXBUZFEON-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
2,2-Bis(3-nitrophenyl)hexafluoropropane 99.0+%, TCI America™
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CAS: 64465-34-5 Molecular Formula: C15H8F6N2O4 Molecular Weight (g/mol): 394.23 MDL Number: MFCD02093448 InChI Key: YETXOTPYXAYEMI-UHFFFAOYSA-N PubChem CID: 14029053 IUPAC Name: 1-[1,1,1,3,3,3-hexafluoro-2-(3-nitrophenyl)propan-2-yl]-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(=C1)C(C1=CC(=CC=C1)[N+]([O-])=O)(C(F)(F)F)C(F)(F)F
| PubChem CID | 14029053 |
|---|---|
| CAS | 64465-34-5 |
| Molecular Weight (g/mol) | 394.23 |
| MDL Number | MFCD02093448 |
| SMILES | [O-][N+](=O)C1=CC=CC(=C1)C(C1=CC(=CC=C1)[N+]([O-])=O)(C(F)(F)F)C(F)(F)F |
| IUPAC Name | 1-[1,1,1,3,3,3-hexafluoro-2-(3-nitrophenyl)propan-2-yl]-3-nitrobenzene |
| InChI Key | YETXOTPYXAYEMI-UHFFFAOYSA-N |
| Molecular Formula | C15H8F6N2O4 |
Sodium 2-Naphthoate 98.0+%, TCI America™
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CAS: 17273-79-9 Molecular Formula: C11H7NaO2 Molecular Weight (g/mol): 194.17 MDL Number: MFCD00671570 InChI Key: WUJXROKYJRAVIO-UHFFFAOYSA-M Synonym: 2-Naphthalenecarboxylic Acid Sodium Salt, 2-Naphthoic Acid Sodium Salt PubChem CID: 23685274 IUPAC Name: sodium naphthalene-2-carboxylate SMILES: [Na+].[O-]C(=O)C1=CC2=CC=CC=C2C=C1
| PubChem CID | 23685274 |
|---|---|
| CAS | 17273-79-9 |
| Molecular Weight (g/mol) | 194.17 |
| MDL Number | MFCD00671570 |
| SMILES | [Na+].[O-]C(=O)C1=CC2=CC=CC=C2C=C1 |
| Synonym | 2-Naphthalenecarboxylic Acid Sodium Salt, 2-Naphthoic Acid Sodium Salt |
| IUPAC Name | sodium naphthalene-2-carboxylate |
| InChI Key | WUJXROKYJRAVIO-UHFFFAOYSA-M |
| Molecular Formula | C11H7NaO2 |
4-Nitro-p-terphenyl 95.0+%, TCI America™
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CAS: 10355-53-0 Molecular Formula: C18H13NO2 Molecular Weight (g/mol): 275.307 MDL Number: MFCD00044846 InChI Key: IMMGNSJGTWWGJB-UHFFFAOYSA-N Synonym: 4-nitro-p-terphenyl,p-terphenyl, 4-nitro,1-4-nitrophenyl-4-phenylbenzene,4-nitro-1,1':4',1-terphenyl,1,1':4',1-terphenyl, 4-nitro,4-nitro-1-4-phenylphenyl benzene,4-nitro-1,1':4':1'-terphenyl,4-nitro-para-terphenyl,3-05-00-02299 beilstein handbook reference,1,1-terphenyl, 4-nitro PubChem CID: 25196 IUPAC Name: 1-(4-nitrophenyl)-4-phenylbenzene SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]
| PubChem CID | 25196 |
|---|---|
| CAS | 10355-53-0 |
| Molecular Weight (g/mol) | 275.307 |
| MDL Number | MFCD00044846 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-] |
| Synonym | 4-nitro-p-terphenyl,p-terphenyl, 4-nitro,1-4-nitrophenyl-4-phenylbenzene,4-nitro-1,1':4',1-terphenyl,1,1':4',1-terphenyl, 4-nitro,4-nitro-1-4-phenylphenyl benzene,4-nitro-1,1':4':1'-terphenyl,4-nitro-para-terphenyl,3-05-00-02299 beilstein handbook reference,1,1-terphenyl, 4-nitro |
| IUPAC Name | 1-(4-nitrophenyl)-4-phenylbenzene |
| InChI Key | IMMGNSJGTWWGJB-UHFFFAOYSA-N |
| Molecular Formula | C18H13NO2 |