Benzenoids
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3-Hydroxy-3'-nitro-2-naphthanilide 95.0+%, TCI America™
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CAS: 135-65-9 Molecular Formula: C17H12N2O4 Molecular Weight (g/mol): 308.29 MDL Number: MFCD00021637 InChI Key: YZJSKRBKHCLMQC-UHFFFAOYSA-N Synonym: 2-Hydroxy-3-naphthoic Acid m-Nitroanilide, Naphthol AS-BS, Azoic Coupling Component 17, 3-Hydroxy-N-(3-nitrophenyl)-2-naphthamide PubChem CID: 67277 IUPAC Name: 3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide SMILES: OC1=C(C=C2C=CC=CC2=C1)C(=O)NC1=CC=CC(=C1)[N+]([O-])=O
| PubChem CID | 67277 |
|---|---|
| CAS | 135-65-9 |
| Molecular Weight (g/mol) | 308.29 |
| MDL Number | MFCD00021637 |
| SMILES | OC1=C(C=C2C=CC=CC2=C1)C(=O)NC1=CC=CC(=C1)[N+]([O-])=O |
| Synonym | 2-Hydroxy-3-naphthoic Acid m-Nitroanilide, Naphthol AS-BS, Azoic Coupling Component 17, 3-Hydroxy-N-(3-nitrophenyl)-2-naphthamide |
| IUPAC Name | 3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide |
| InChI Key | YZJSKRBKHCLMQC-UHFFFAOYSA-N |
| Molecular Formula | C17H12N2O4 |
N-(tert-Butoxycarbonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline 99.0+%, TCI America™
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CAS: 330793-01-6 Molecular Formula: C17H26BNO4 Molecular Weight (g/mol): 319.21 MDL Number: MFCD02179439 InChI Key: HSJNIOYPTSKQBD-UHFFFAOYSA-N Synonym: 4-n-boc-amino phenylboronic acid pinacol ester,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino benzeneboronic acid pinacol ester,tert-butyl n-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino phenylboronic acid pinacol cyclic ester,4-boc-aminophenylboronic acid, pinacol ester,4-tert-butoxycarbonyl aminophenylboronic acid, pinacol ester,tert-butyl n-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenylcarbamate PubChem CID: 2734617 IUPAC Name: tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1
| PubChem CID | 2734617 |
|---|---|
| CAS | 330793-01-6 |
| Molecular Weight (g/mol) | 319.21 |
| MDL Number | MFCD02179439 |
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1 |
| Synonym | 4-n-boc-amino phenylboronic acid pinacol ester,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino benzeneboronic acid pinacol ester,tert-butyl n-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,4-boc-amino phenylboronic acid pinacol cyclic ester,4-boc-aminophenylboronic acid, pinacol ester,4-tert-butoxycarbonyl aminophenylboronic acid, pinacol ester,tert-butyl n-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenylcarbamate |
| IUPAC Name | tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
| InChI Key | HSJNIOYPTSKQBD-UHFFFAOYSA-N |
| Molecular Formula | C17H26BNO4 |
N-(tert-Butoxycarbonyl)tyramine 97.0+%, TCI America™
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CAS: 64318-28-1 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD05864730 InChI Key: ILNOTKMMDBWGOK-UHFFFAOYSA-N Synonym: N-Boc-tyramine, N-(tert-Butoxycarbonyl)-4-hydroxyphenethylamine, N-Boc-4-hydroxyphenethylamine PubChem CID: 11831452 IUPAC Name: tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate SMILES: CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)O
| PubChem CID | 11831452 |
|---|---|
| CAS | 64318-28-1 |
| Molecular Weight (g/mol) | 237.299 |
| MDL Number | MFCD05864730 |
| SMILES | CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)O |
| Synonym | N-Boc-tyramine, N-(tert-Butoxycarbonyl)-4-hydroxyphenethylamine, N-Boc-4-hydroxyphenethylamine |
| IUPAC Name | tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate |
| InChI Key | ILNOTKMMDBWGOK-UHFFFAOYSA-N |
| Molecular Formula | C13H19NO3 |
2-Methoxybenzenethiol 98.0+%, TCI America™
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CAS: 7217-59-6 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.2 InChI Key: DSCJETUEDFKYGN-UHFFFAOYSA-N Synonym: 2-methoxythiophenol,thioguaiacol,benzenethiol, 2-methoxy,o-methoxythiophenol,o-methoxybenzenethiol,2-methoxy thiophenol,2-mercaptoanisole,2-methoxybenzene-1-thiol,2-methoxy-benzenethiol,benzenethiol, o-methoxy PubChem CID: 23642 IUPAC Name: 2-methoxybenzenethiol SMILES: COC1=CC=CC=C1S
| PubChem CID | 23642 |
|---|---|
| CAS | 7217-59-6 |
| Molecular Weight (g/mol) | 140.2 |
| SMILES | COC1=CC=CC=C1S |
| Synonym | 2-methoxythiophenol,thioguaiacol,benzenethiol, 2-methoxy,o-methoxythiophenol,o-methoxybenzenethiol,2-methoxy thiophenol,2-mercaptoanisole,2-methoxybenzene-1-thiol,2-methoxy-benzenethiol,benzenethiol, o-methoxy |
| IUPAC Name | 2-methoxybenzenethiol |
| InChI Key | DSCJETUEDFKYGN-UHFFFAOYSA-N |
| Molecular Formula | C7H8OS |
2,6-Difluorobenzaldehyde 98.0+%, TCI America™
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CAS: 437-81-0 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010293 InChI Key: SOWRUJSGHKNOKN-UHFFFAOYSA-N Synonym: 2,6-difluoro benzaldehyde,2,6-dfad,benzaldehyde, 2,6-difluoro,2,6-difluorobenzaledehyde,pubchem1438,2,6-difluorbenzaldehyde,2,6 difluorobenzaldehyde,acmc-1adi4,2, 6-difluorobenzaldehyde,2,6-difluoro-benzaldehyde PubChem CID: 136284 IUPAC Name: 2,6-difluorobenzaldehyde SMILES: C1=CC(=C(C(=C1)F)C=O)F
| PubChem CID | 136284 |
|---|---|
| CAS | 437-81-0 |
| Molecular Weight (g/mol) | 142.105 |
| MDL Number | MFCD00010293 |
| SMILES | C1=CC(=C(C(=C1)F)C=O)F |
| Synonym | 2,6-difluoro benzaldehyde,2,6-dfad,benzaldehyde, 2,6-difluoro,2,6-difluorobenzaledehyde,pubchem1438,2,6-difluorbenzaldehyde,2,6 difluorobenzaldehyde,acmc-1adi4,2, 6-difluorobenzaldehyde,2,6-difluoro-benzaldehyde |
| IUPAC Name | 2,6-difluorobenzaldehyde |
| InChI Key | SOWRUJSGHKNOKN-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O |
7-Hydroxy-1-tetralone 98.0+%, TCI America™
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CAS: 22009-38-7 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD01312225 InChI Key: LGFSAJZSDNYVCW-UHFFFAOYSA-N Synonym: 7-Hydroxy-3,4-dihydronaphthalen-1(2H)-one PubChem CID: 571818 IUPAC Name: 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one SMILES: C1CC2=C(C=C(C=C2)O)C(=O)C1
| PubChem CID | 571818 |
|---|---|
| CAS | 22009-38-7 |
| Molecular Weight (g/mol) | 162.188 |
| MDL Number | MFCD01312225 |
| SMILES | C1CC2=C(C=C(C=C2)O)C(=O)C1 |
| Synonym | 7-Hydroxy-3,4-dihydronaphthalen-1(2H)-one |
| IUPAC Name | 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one |
| InChI Key | LGFSAJZSDNYVCW-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
3-Fluoro-p-tolunitrile 98.0+%, TCI America™
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CAS: 170572-49-3 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.14 MDL Number: MFCD00153174 InChI Key: KUQQONVKIURIQU-UHFFFAOYSA-N Synonym: 4-cyano-2-fluorotoluene,3-fluoro-p-tolunitrile,2-fluoro-4-cyanotoluene,benzonitrile, 3-fluoro-4-methyl,4-methyl-3-fluorobenzonitrile,3-fluoro-4-methyl-benzonitrile,3-fluoro-4-methylbenzenecarbonitrile,benzonitrile, 3-fluoro-4-methyl-9ci,ncr cf d1,pubchem1557 PubChem CID: 585140 IUPAC Name: 3-fluoro-4-methylbenzonitrile SMILES: CC1=CC=C(C=C1F)C#N
| PubChem CID | 585140 |
|---|---|
| CAS | 170572-49-3 |
| Molecular Weight (g/mol) | 135.14 |
| MDL Number | MFCD00153174 |
| SMILES | CC1=CC=C(C=C1F)C#N |
| Synonym | 4-cyano-2-fluorotoluene,3-fluoro-p-tolunitrile,2-fluoro-4-cyanotoluene,benzonitrile, 3-fluoro-4-methyl,4-methyl-3-fluorobenzonitrile,3-fluoro-4-methyl-benzonitrile,3-fluoro-4-methylbenzenecarbonitrile,benzonitrile, 3-fluoro-4-methyl-9ci,ncr cf d1,pubchem1557 |
| IUPAC Name | 3-fluoro-4-methylbenzonitrile |
| InChI Key | KUQQONVKIURIQU-UHFFFAOYSA-N |
| Molecular Formula | C8H6FN |
N-Benzylidenebenzenesulfonamide 98.0+%, TCI America™
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CAS: 13909-34-7 Molecular Formula: C13H11NO2S Molecular Weight (g/mol): 245.30 MDL Number: MFCD00011587 InChI Key: MPNRJEPBAYEQBY-UHFFFAOYSA-N PubChem CID: 9602006 IUPAC Name: N-(phenylmethylidene)benzenesulfonamide SMILES: O=S(=O)(N=CC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 9602006 |
|---|---|
| CAS | 13909-34-7 |
| Molecular Weight (g/mol) | 245.30 |
| MDL Number | MFCD00011587 |
| SMILES | O=S(=O)(N=CC1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | N-(phenylmethylidene)benzenesulfonamide |
| InChI Key | MPNRJEPBAYEQBY-UHFFFAOYSA-N |
| Molecular Formula | C13H11NO2S |
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-2-phenylglycine 98.0+%, TCI America™
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CAS: 102410-65-1 Molecular Formula: C23H19NO4 Molecular Weight (g/mol): 373.408 MDL Number: MFCD00155632 InChI Key: PCJHOCNJLMFYCV-NRFANRHFSA-N Synonym: fmoc-phg-oh,fmoc-l-phenylglycine,s-2-9h-fluoren-9-yl methoxy carbonyl amino-2-phenylacetic acid,n-fmoc-l-2-phenylglycine,fmoc-s-phenylglycine,n-9h-fluoren-9-ylmethoxy carbonyl-l-2-phenylglycine,n-alpha-9-fluorenylmethyloxycarbonyl-l-phenylglycine,s-9h-fluoren-9-ylmethoxycarbonylamino-phenyl-acetic acid,s-9h-fluoren-9-ylmethoxy carbonyl amino phenyl acetic acid,2s-9h-fluoren-9-yl-methoxy carbonyl amino phenyl acetic acid PubChem CID: 7269367 IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
| PubChem CID | 7269367 |
|---|---|
| CAS | 102410-65-1 |
| Molecular Weight (g/mol) | 373.408 |
| MDL Number | MFCD00155632 |
| SMILES | C1=CC=C(C=C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| Synonym | fmoc-phg-oh,fmoc-l-phenylglycine,s-2-9h-fluoren-9-yl methoxy carbonyl amino-2-phenylacetic acid,n-fmoc-l-2-phenylglycine,fmoc-s-phenylglycine,n-9h-fluoren-9-ylmethoxy carbonyl-l-2-phenylglycine,n-alpha-9-fluorenylmethyloxycarbonyl-l-phenylglycine,s-9h-fluoren-9-ylmethoxycarbonylamino-phenyl-acetic acid,s-9h-fluoren-9-ylmethoxy carbonyl amino phenyl acetic acid,2s-9h-fluoren-9-yl-methoxy carbonyl amino phenyl acetic acid |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid |
| InChI Key | PCJHOCNJLMFYCV-NRFANRHFSA-N |
| Molecular Formula | C23H19NO4 |
4-Chloro-3-nitrobenzotrifluoride 97.0+%, TCI America™
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CAS: 121-17-5 Molecular Formula: C7H3ClF3NO2 Molecular Weight (g/mol): 225.55 MDL Number: MFCD00007084 InChI Key: TZGFQIXRVUHDLE-UHFFFAOYSA-N Synonym: 4-chloro-3-nitrobenzotrifluoride,1-chloro-2-nitro-4-trifluoromethyl benzene,3-nitro-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl nitrobenzene,benzene, 1-chloro-2-nitro-4-trifluoromethyl,cmnt,2-nitro-4-trifluoromethylchlorobenzene,3-nitro-4-chlorotrifluoromethylbenzene,4-chloro-3-nitro-a,a,a-trifluorotoluene,4-chloro-3-nitrobenzylidyne fluoride PubChem CID: 8462 IUPAC Name: 1-chloro-2-nitro-4-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(=CC=C1Cl)C(F)(F)F
| PubChem CID | 8462 |
|---|---|
| CAS | 121-17-5 |
| Molecular Weight (g/mol) | 225.55 |
| MDL Number | MFCD00007084 |
| SMILES | [O-][N+](=O)C1=CC(=CC=C1Cl)C(F)(F)F |
| Synonym | 4-chloro-3-nitrobenzotrifluoride,1-chloro-2-nitro-4-trifluoromethyl benzene,3-nitro-4-chlorobenzotrifluoride,2-chloro-5-trifluoromethyl nitrobenzene,benzene, 1-chloro-2-nitro-4-trifluoromethyl,cmnt,2-nitro-4-trifluoromethylchlorobenzene,3-nitro-4-chlorotrifluoromethylbenzene,4-chloro-3-nitro-a,a,a-trifluorotoluene,4-chloro-3-nitrobenzylidyne fluoride |
| IUPAC Name | 1-chloro-2-nitro-4-(trifluoromethyl)benzene |
| InChI Key | TZGFQIXRVUHDLE-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF3NO2 |
N-Methyl-p-toluenesulfonamide 98.0+%, TCI America™
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CAS: 640-61-9 Molecular Formula: C8H11NO2S Molecular Weight (g/mol): 185.241 InChI Key: GWLOGZRVYXAHRE-UHFFFAOYSA-N Synonym: n-methyl-p-toluenesulfonamide,benzenesulfonamide, n,4-dimethyl,p-tolylsulfonyl methylamine,p-toluene-n-methylsulfonamide,p-toluenesulfonamide, n-methyl,n,4-dimethyl-benzenesulfonamide,n-methyl-para-toluenesulfonamide,n,4-dimethylbenzene-1-sulfonamide,benzenesulfonamide,4-dimethyl,methyl 4-methylphenyl sulfonyl amine PubChem CID: 12543 IUPAC Name: N,4-dimethylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC
| PubChem CID | 12543 |
|---|---|
| CAS | 640-61-9 |
| Molecular Weight (g/mol) | 185.241 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC |
| Synonym | n-methyl-p-toluenesulfonamide,benzenesulfonamide, n,4-dimethyl,p-tolylsulfonyl methylamine,p-toluene-n-methylsulfonamide,p-toluenesulfonamide, n-methyl,n,4-dimethyl-benzenesulfonamide,n-methyl-para-toluenesulfonamide,n,4-dimethylbenzene-1-sulfonamide,benzenesulfonamide,4-dimethyl,methyl 4-methylphenyl sulfonyl amine |
| IUPAC Name | N,4-dimethylbenzenesulfonamide |
| InChI Key | GWLOGZRVYXAHRE-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2S |
(8-Chloro-1-naphthylthio)acetic Acid 95.0+%, TCI America™
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CAS: 129-94-2 Molecular Formula: C12H8ClO2S Molecular Weight (g/mol): 251.70 MDL Number: MFCD00043901 InChI Key: WPNAGQJVWAFQJV-UHFFFAOYSA-M Synonym: 8-chloro-1-naphthylthio acetic acid,2-8-chloro-1-naphthylthio acetic acid,2-8-chloronaphthalen-1-yl sulfanyl acetic acid,2-8-chloronaphthalen-1-yl thio acetic acid,8-chloronaphthalen-1-yl sulfanyl acetic acid,2-8-chloro-1-naphthyl thio acetic acid,maybridge1_001748,8-chloro-1-naphthyl sulfanyl acetic acid,acmc-1bugo,2-8-chloronaphthylthio acetic acid PubChem CID: 67219 IUPAC Name: 2-[(8-chloronaphthalen-1-yl)sulfanyl]acetate SMILES: [O-]C(=O)CSC1=C2C(Cl)=CC=CC2=CC=C1
| PubChem CID | 67219 |
|---|---|
| CAS | 129-94-2 |
| Molecular Weight (g/mol) | 251.70 |
| MDL Number | MFCD00043901 |
| SMILES | [O-]C(=O)CSC1=C2C(Cl)=CC=CC2=CC=C1 |
| Synonym | 8-chloro-1-naphthylthio acetic acid,2-8-chloro-1-naphthylthio acetic acid,2-8-chloronaphthalen-1-yl sulfanyl acetic acid,2-8-chloronaphthalen-1-yl thio acetic acid,8-chloronaphthalen-1-yl sulfanyl acetic acid,2-8-chloro-1-naphthyl thio acetic acid,maybridge1_001748,8-chloro-1-naphthyl sulfanyl acetic acid,acmc-1bugo,2-8-chloronaphthylthio acetic acid |
| IUPAC Name | 2-[(8-chloronaphthalen-1-yl)sulfanyl]acetate |
| InChI Key | WPNAGQJVWAFQJV-UHFFFAOYSA-M |
| Molecular Formula | C12H8ClO2S |
1,2,3,4-Tetrafluorobenzene 98.0+%, TCI America™
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CAS: 551-62-2 Molecular Formula: C6H2F4 Molecular Weight (g/mol): 150.076 MDL Number: MFCD00000285 InChI Key: SOZFIIXUNAKEJP-UHFFFAOYSA-N Synonym: tetrafluorobenzene,1,2,3,4-tetrafluoro-benzene,unii-66365s2rfq,benzene, 1,2,3,4-tetrafluoro,2,3,4,5-tetrafluorobenzene,benzene, tetrafluoro,pubchem1061,acmc-1ao1z,1,3,4-tetrafluorobenzene PubChem CID: 11084 IUPAC Name: 1,2,3,4-tetrafluorobenzene SMILES: C1=CC(=C(C(=C1F)F)F)F
| PubChem CID | 11084 |
|---|---|
| CAS | 551-62-2 |
| Molecular Weight (g/mol) | 150.076 |
| MDL Number | MFCD00000285 |
| SMILES | C1=CC(=C(C(=C1F)F)F)F |
| Synonym | tetrafluorobenzene,1,2,3,4-tetrafluoro-benzene,unii-66365s2rfq,benzene, 1,2,3,4-tetrafluoro,2,3,4,5-tetrafluorobenzene,benzene, tetrafluoro,pubchem1061,acmc-1ao1z,1,3,4-tetrafluorobenzene |
| IUPAC Name | 1,2,3,4-tetrafluorobenzene |
| InChI Key | SOZFIIXUNAKEJP-UHFFFAOYSA-N |
| Molecular Formula | C6H2F4 |
2-Amino-4-chlorobenzenethiol 98.0+%, TCI America™
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CAS: 1004-00-8 Molecular Formula: C6H6ClNS Molecular Weight (g/mol): 159.631 MDL Number: MFCD00792528 InChI Key: NGIRMPARLVGMPX-UHFFFAOYSA-N Synonym: 2-amino-4-chlorothiophenol,2-amino-4-chlorobenzene-1-thiol,2-amino-4-chloro-benzenethiol,benzenethiol, 2-amino-4-chloro,4-chloro-2-aminothiophenol,5-chloro-2-mercaptoaniline,2-amino-4-chloro thiophenol,5-chloro-2-mercaptoaniline hydrochloride,benzenethiol, 2-amino-4-chloro-, hydrochloride,pubchem5427 PubChem CID: 12000 IUPAC Name: 2-amino-4-chlorobenzenethiol SMILES: C1=CC(=C(C=C1Cl)N)S
| PubChem CID | 12000 |
|---|---|
| CAS | 1004-00-8 |
| Molecular Weight (g/mol) | 159.631 |
| MDL Number | MFCD00792528 |
| SMILES | C1=CC(=C(C=C1Cl)N)S |
| Synonym | 2-amino-4-chlorothiophenol,2-amino-4-chlorobenzene-1-thiol,2-amino-4-chloro-benzenethiol,benzenethiol, 2-amino-4-chloro,4-chloro-2-aminothiophenol,5-chloro-2-mercaptoaniline,2-amino-4-chloro thiophenol,5-chloro-2-mercaptoaniline hydrochloride,benzenethiol, 2-amino-4-chloro-, hydrochloride,pubchem5427 |
| IUPAC Name | 2-amino-4-chlorobenzenethiol |
| InChI Key | NGIRMPARLVGMPX-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNS |
2-(Trifluoromethyl)phenyl Isothiocyanate 98.0+%, TCI America™
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CAS: 1743-86-8 Molecular Formula: C8H4F3NS Molecular Weight (g/mol): 203.182 MDL Number: MFCD00039644 InChI Key: FCEKLQPJGXIQRY-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl benzene,2-trifluoromethylphenylisothiocyanate,2-trifluoromethyl phenylisothiocyanate,2-trifluoromethylphenyl isothiocyanate,o-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-isothiocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate,isothiocyanic acid 2-trifluoromethyl phenyl ester PubChem CID: 737162 IUPAC Name: 1-isothiocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)N=C=S
| PubChem CID | 737162 |
|---|---|
| CAS | 1743-86-8 |
| Molecular Weight (g/mol) | 203.182 |
| MDL Number | MFCD00039644 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N=C=S |
| Synonym | 2-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl benzene,2-trifluoromethylphenylisothiocyanate,2-trifluoromethyl phenylisothiocyanate,2-trifluoromethylphenyl isothiocyanate,o-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-isothiocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate,isothiocyanic acid 2-trifluoromethyl phenyl ester |
| IUPAC Name | 1-isothiocyanato-2-(trifluoromethyl)benzene |
| InChI Key | FCEKLQPJGXIQRY-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NS |