Organic compounds
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Methyl 4-Chloro-2-methylphenoxyacetate 94.0+%, TCI America™
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CAS: 2436-73-9 Molecular Formula: C10H11ClO3 Molecular Weight (g/mol): 214.645 MDL Number: MFCD00055259 InChI Key: VWERIRLJUWTNDA-UHFFFAOYSA-N Synonym: mcpa methyl ester,mcpa-methyl,methyl 4-chloro-2-methylphenoxyacetate,methyl 2-4-chloro-2-methylphenoxy acetate,mcpa-methyl iso,acetic acid, 4-chloro-2-methylphenoxy-, methyl ester,unii-cm4042hz0o,methyl 4-chloro-2-methylphenoxy acetate,2-methyl-4-chlorophenoxyacetic acid methyl ester,4-chloro-2-methylphenoxy acetic acid methyl ester PubChem CID: 17089 IUPAC Name: methyl 2-(4-chloro-2-methylphenoxy)acetate SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)OC
| PubChem CID | 17089 |
|---|---|
| CAS | 2436-73-9 |
| Molecular Weight (g/mol) | 214.645 |
| MDL Number | MFCD00055259 |
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)OC |
| Synonym | mcpa methyl ester,mcpa-methyl,methyl 4-chloro-2-methylphenoxyacetate,methyl 2-4-chloro-2-methylphenoxy acetate,mcpa-methyl iso,acetic acid, 4-chloro-2-methylphenoxy-, methyl ester,unii-cm4042hz0o,methyl 4-chloro-2-methylphenoxy acetate,2-methyl-4-chlorophenoxyacetic acid methyl ester,4-chloro-2-methylphenoxy acetic acid methyl ester |
| IUPAC Name | methyl 2-(4-chloro-2-methylphenoxy)acetate |
| InChI Key | VWERIRLJUWTNDA-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClO3 |
Sclareol 96.0+%, TCI America™
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CAS: 515-03-7 Molecular Formula: C20H36O2 Molecular Weight (g/mol): 308.506 MDL Number: MFCD00869558 InChI Key: XVULBTBTFGYVRC-SVPXJYONSA-N Synonym: (1R,2R,8aS)-Decahydro-1-(3-hydroxy-3-methyl-4-pentenyl)-2,5,5,8a-tetramethyl-2-naphthol PubChem CID: 56842011 IUPAC Name: (1R,2R,4aS,8aS)-1-(3-hydroxy-3-methylpent-4-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol SMILES: CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C
| PubChem CID | 56842011 |
|---|---|
| CAS | 515-03-7 |
| Molecular Weight (g/mol) | 308.506 |
| MDL Number | MFCD00869558 |
| SMILES | CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C |
| Synonym | (1R,2R,8aS)-Decahydro-1-(3-hydroxy-3-methyl-4-pentenyl)-2,5,5,8a-tetramethyl-2-naphthol |
| IUPAC Name | (1R,2R,4aS,8aS)-1-(3-hydroxy-3-methylpent-4-enyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| InChI Key | XVULBTBTFGYVRC-SVPXJYONSA-N |
| Molecular Formula | C20H36O2 |
Propylamine Hydrobromide 97.0+%, TCI America™
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CAS: 4905-83-3 Molecular Formula: C3H10BrN Molecular Weight (g/mol): 140.024 InChI Key: MVYQJCPZZBFMLF-UHFFFAOYSA-N Synonym: Propylammonium Bromide PubChem CID: 12203661 IUPAC Name: propan-1-amine;hydrobromide SMILES: CCCN.Br
| PubChem CID | 12203661 |
|---|---|
| CAS | 4905-83-3 |
| Molecular Weight (g/mol) | 140.024 |
| SMILES | CCCN.Br |
| Synonym | Propylammonium Bromide |
| IUPAC Name | propan-1-amine;hydrobromide |
| InChI Key | MVYQJCPZZBFMLF-UHFFFAOYSA-N |
| Molecular Formula | C3H10BrN |
6-Hydroxybenzothiazole 96.0+%, TCI America™
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CAS: 13599-84-3 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.18 MDL Number: MFCD00057883 InChI Key: ORIIXCOYEOIFSN-UHFFFAOYSA-N Synonym: 6-Benzothiazolol PubChem CID: 151811 IUPAC Name: 1,3-benzothiazol-6-ol SMILES: OC1=CC=C2N=CSC2=C1
| PubChem CID | 151811 |
|---|---|
| CAS | 13599-84-3 |
| Molecular Weight (g/mol) | 151.18 |
| MDL Number | MFCD00057883 |
| SMILES | OC1=CC=C2N=CSC2=C1 |
| Synonym | 6-Benzothiazolol |
| IUPAC Name | 1,3-benzothiazol-6-ol |
| InChI Key | ORIIXCOYEOIFSN-UHFFFAOYSA-N |
| Molecular Formula | C7H5NOS |
2-Bromo-4-fluoro-6-nitroaniline 98.0+%, TCI America™
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CAS: 10472-88-5 Molecular Formula: C6H4BrFN2O2 Molecular Weight (g/mol): 235.01 MDL Number: MFCD07779528 InChI Key: HCYDUPDSEDHSQB-UHFFFAOYSA-N Synonym: 2-bromo-4-fluoro-6-nitrobenzenamine,2-bromo-4-fluoro-6-nitrophenylamine,benzenamine, 2-bromo-4-fluoro-6-nitro,2-amino-3-bromo-5-fluoronitrobenzene,pubchem16316,ksc495m4t,4-fluoro-2-bromo-6-nitroaniline,4-fluoro-2-nitro-6-bromoaniline,6-bromo-4-fluoro-2-nitroaniline,2-bromo-4-fluoro-6-nitroaniline PubChem CID: 292004 IUPAC Name: 2-bromo-4-fluoro-6-nitroaniline SMILES: NC1=C(Br)C=C(F)C=C1[N+]([O-])=O
| PubChem CID | 292004 |
|---|---|
| CAS | 10472-88-5 |
| Molecular Weight (g/mol) | 235.01 |
| MDL Number | MFCD07779528 |
| SMILES | NC1=C(Br)C=C(F)C=C1[N+]([O-])=O |
| Synonym | 2-bromo-4-fluoro-6-nitrobenzenamine,2-bromo-4-fluoro-6-nitrophenylamine,benzenamine, 2-bromo-4-fluoro-6-nitro,2-amino-3-bromo-5-fluoronitrobenzene,pubchem16316,ksc495m4t,4-fluoro-2-bromo-6-nitroaniline,4-fluoro-2-nitro-6-bromoaniline,6-bromo-4-fluoro-2-nitroaniline,2-bromo-4-fluoro-6-nitroaniline |
| IUPAC Name | 2-bromo-4-fluoro-6-nitroaniline |
| InChI Key | HCYDUPDSEDHSQB-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrFN2O2 |
Ethanesulfonyl Chloride 98.0+%, TCI America™
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CAS: 594-44-5 Molecular Formula: C2H5ClO2S Molecular Weight (g/mol): 128.57 MDL Number: MFCD00007460 InChI Key: FRYHCSODNHYDPU-UHFFFAOYSA-N Synonym: ethylsulfonyl chloride,ethylsulfochloride,1-ethanesulfonyl chloride,ethanesulphonyl chloride,ethanesulfonylchloride,unii-b56zoc898a,ethylsulfonylchloride,ethansulfonyl chloride,ethansulfonylchlorid,ethanesulfonylchoride PubChem CID: 11667 IUPAC Name: ethanesulfonyl chloride SMILES: CCS(Cl)(=O)=O
| PubChem CID | 11667 |
|---|---|
| CAS | 594-44-5 |
| Molecular Weight (g/mol) | 128.57 |
| MDL Number | MFCD00007460 |
| SMILES | CCS(Cl)(=O)=O |
| Synonym | ethylsulfonyl chloride,ethylsulfochloride,1-ethanesulfonyl chloride,ethanesulphonyl chloride,ethanesulfonylchloride,unii-b56zoc898a,ethylsulfonylchloride,ethansulfonyl chloride,ethansulfonylchlorid,ethanesulfonylchoride |
| IUPAC Name | ethanesulfonyl chloride |
| InChI Key | FRYHCSODNHYDPU-UHFFFAOYSA-N |
| Molecular Formula | C2H5ClO2S |
2-Butyl-1H-imidazole-5-carboxaldehyde 98.0+%, TCI America™
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CAS: 68282-49-5 Molecular Formula: C8H12N2O Molecular Weight (g/mol): 152.197 MDL Number: MFCD01075030 InChI Key: PTHGVOCFAZSNNA-UHFFFAOYSA-N Synonym: 2-butyl-1h-imidazole-4-carbaldehyde,2-butyl-5-formylimidazole,2-butyl-4-formylimidazole,2-butyl-4-imidazolyl formaldehyde,unii-u12g73sqsx,2-butyl-1h-imidazole-5-carboxaldehyde,u12g73sqsx,1h-imidazole-5-carboxaldehyde, 2-butyl,2-butylimidazole-4-carbaldehyde,2-butyl-3h-imidazole-4-carbaldehyde PubChem CID: 2735671 IUPAC Name: 2-butyl-1H-imidazole-5-carbaldehyde SMILES: CCCCC1=NC=C(N1)C=O
| PubChem CID | 2735671 |
|---|---|
| CAS | 68282-49-5 |
| Molecular Weight (g/mol) | 152.197 |
| MDL Number | MFCD01075030 |
| SMILES | CCCCC1=NC=C(N1)C=O |
| Synonym | 2-butyl-1h-imidazole-4-carbaldehyde,2-butyl-5-formylimidazole,2-butyl-4-formylimidazole,2-butyl-4-imidazolyl formaldehyde,unii-u12g73sqsx,2-butyl-1h-imidazole-5-carboxaldehyde,u12g73sqsx,1h-imidazole-5-carboxaldehyde, 2-butyl,2-butylimidazole-4-carbaldehyde,2-butyl-3h-imidazole-4-carbaldehyde |
| IUPAC Name | 2-butyl-1H-imidazole-5-carbaldehyde |
| InChI Key | PTHGVOCFAZSNNA-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2O |
3,4,5-Trifluorobenzonitrile 98.0+%, TCI America™
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CAS: 134227-45-5 Molecular Formula: C7H2F3N Molecular Weight (g/mol): 157.095 MDL Number: MFCD00074948 InChI Key: XFKYJMGXZXJYBS-UHFFFAOYSA-N Synonym: 3,4,5-trifluoro-1-cyano benzene,benzonitrile, 3,4,5-trifluoro,3,4,5-trifluoro-benzonitrile,3,4,5-trifluorobenzenecarbonitrile,pubchem1573,intermediates-zcf02038,acmc-1bz57,ksc493s4j,3,4,5-?trifluorobenzonitrile,3,4,5-trifluorobenzonitrile PubChem CID: 593814 IUPAC Name: 3,4,5-trifluorobenzonitrile SMILES: C1=C(C=C(C(=C1F)F)F)C#N
| PubChem CID | 593814 |
|---|---|
| CAS | 134227-45-5 |
| Molecular Weight (g/mol) | 157.095 |
| MDL Number | MFCD00074948 |
| SMILES | C1=C(C=C(C(=C1F)F)F)C#N |
| Synonym | 3,4,5-trifluoro-1-cyano benzene,benzonitrile, 3,4,5-trifluoro,3,4,5-trifluoro-benzonitrile,3,4,5-trifluorobenzenecarbonitrile,pubchem1573,intermediates-zcf02038,acmc-1bz57,ksc493s4j,3,4,5-?trifluorobenzonitrile,3,4,5-trifluorobenzonitrile |
| IUPAC Name | 3,4,5-trifluorobenzonitrile |
| InChI Key | XFKYJMGXZXJYBS-UHFFFAOYSA-N |
| Molecular Formula | C7H2F3N |
2,3,4-Trifluorobenzoic Acid 98.0+%, TCI America™
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CAS: 61079-72-9 Molecular Formula: C7H3F3O2 Molecular Weight (g/mol): 176.09 MDL Number: MFCD00061232 InChI Key: WEPXLRANFJEOFZ-UHFFFAOYSA-N Synonym: 2,3,4-trifluorobenzoicacid,pubchem1345,acmc-209mos,ksc354m6t,2,3 4-trifluorobenzoic acid,2,3,4-trifluoro-benzoic acid,rarechem al bo 0257,timtec-bb sbb006557,attercop-chm at111721,buttpark 30\01-45 PubChem CID: 302932 IUPAC Name: 2,3,4-trifluorobenzoic acid SMILES: OC(=O)C1=CC=C(F)C(F)=C1F
| PubChem CID | 302932 |
|---|---|
| CAS | 61079-72-9 |
| Molecular Weight (g/mol) | 176.09 |
| MDL Number | MFCD00061232 |
| SMILES | OC(=O)C1=CC=C(F)C(F)=C1F |
| Synonym | 2,3,4-trifluorobenzoicacid,pubchem1345,acmc-209mos,ksc354m6t,2,3 4-trifluorobenzoic acid,2,3,4-trifluoro-benzoic acid,rarechem al bo 0257,timtec-bb sbb006557,attercop-chm at111721,buttpark 30\01-45 |
| IUPAC Name | 2,3,4-trifluorobenzoic acid |
| InChI Key | WEPXLRANFJEOFZ-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3O2 |
1-(Cyanomethyl)pyridinium Chloride 98.0+%, TCI America™
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CAS: 17281-59-3 Molecular Formula: C7H7ClN2 Molecular Weight (g/mol): 154.60 MDL Number: MFCD00031933 InChI Key: HEJOROWXIWLCMS-UHFFFAOYSA-M Synonym: 1-cyanomethyl pyridinium chloride,n-cyanomethyl pyridinium chloride,1-cyanomethyl pyridin-1-ium chloride,acmc-1chuo,cyanomethylpyridinium chloride,n-cyanomethyl pyridiniumchloride,2-pyridin-1-ium-1-ylacetonitrile chloride,2-1-pyridin-1-iumyl acetonitrile chloride,2-pyridin-1-ium-1-ylethanenitrile chloride PubChem CID: 2734116 IUPAC Name: 1-(cyanomethyl)pyridin-1-ium chloride SMILES: [Cl-].N#CC[N+]1=CC=CC=C1
| PubChem CID | 2734116 |
|---|---|
| CAS | 17281-59-3 |
| Molecular Weight (g/mol) | 154.60 |
| MDL Number | MFCD00031933 |
| SMILES | [Cl-].N#CC[N+]1=CC=CC=C1 |
| Synonym | 1-cyanomethyl pyridinium chloride,n-cyanomethyl pyridinium chloride,1-cyanomethyl pyridin-1-ium chloride,acmc-1chuo,cyanomethylpyridinium chloride,n-cyanomethyl pyridiniumchloride,2-pyridin-1-ium-1-ylacetonitrile chloride,2-1-pyridin-1-iumyl acetonitrile chloride,2-pyridin-1-ium-1-ylethanenitrile chloride |
| IUPAC Name | 1-(cyanomethyl)pyridin-1-ium chloride |
| InChI Key | HEJOROWXIWLCMS-UHFFFAOYSA-M |
| Molecular Formula | C7H7ClN2 |
Thiopropionamide 98.0+%, TCI America™
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CAS: 631-58-3 Molecular Formula: C3H7NS Molecular Weight (g/mol): 89.156 MDL Number: MFCD00059864 InChI Key: WPZSAUFQHYFIPG-UHFFFAOYSA-N PubChem CID: 2760628 IUPAC Name: propanethioamide SMILES: CCC(=S)N
| PubChem CID | 2760628 |
|---|---|
| CAS | 631-58-3 |
| Molecular Weight (g/mol) | 89.156 |
| MDL Number | MFCD00059864 |
| SMILES | CCC(=S)N |
| IUPAC Name | propanethioamide |
| InChI Key | WPZSAUFQHYFIPG-UHFFFAOYSA-N |
| Molecular Formula | C3H7NS |
(1S,2S)-(+)-1-Amino-2-indanol 98.0+%, TCI America™
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CAS: 163061-74-3 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD08275383 InChI Key: LOPKSXMQWBYUOI-IUCAKERBSA-N Synonym: (1S,2S)-(+)-1-Amino-2-hydroxyindan PubChem CID: 6931156 IUPAC Name: (1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol SMILES: C1C(C(C2=CC=CC=C21)N)O
| PubChem CID | 6931156 |
|---|---|
| CAS | 163061-74-3 |
| Molecular Weight (g/mol) | 149.193 |
| MDL Number | MFCD08275383 |
| SMILES | C1C(C(C2=CC=CC=C21)N)O |
| Synonym | (1S,2S)-(+)-1-Amino-2-hydroxyindan |
| IUPAC Name | (1S,2S)-1-amino-2,3-dihydro-1H-inden-2-ol |
| InChI Key | LOPKSXMQWBYUOI-IUCAKERBSA-N |
| Molecular Formula | C9H11NO |
Diflufenican 98.0+%, TCI America™
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CAS: 83164-33-4 Molecular Formula: C19H11F5N2O2 Molecular Weight (g/mol): 394.301 MDL Number: MFCD01311804 InChI Key: WYEHFWKAOXOVJD-UHFFFAOYSA-N Synonym: diflufenican,n-2,4-difluorophenyl-2-3-trifluoromethyl phenoxy nicotinamide,diflufenicanil,diflufenican bsi:iso,unii-3t8d1vdo6k,n-2,4-difluorophenyl-2-3-trifluoromethyl phenoxy pyridine-3-carboxamide,3t8d1vdo6k,2',4'-difluoro-2-alpha,alpha,alpha-trifluoro-m-tolyloxy nicotinanilide,n-2,4-difluorophenyl-2-3-trifluoromethyl phenoxy-3-pyridinecarboxamide PubChem CID: 91735 ChEBI: CHEBI:81824 IUPAC Name: N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide SMILES: C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F
| PubChem CID | 91735 |
|---|---|
| CAS | 83164-33-4 |
| Molecular Weight (g/mol) | 394.301 |
| ChEBI | CHEBI:81824 |
| MDL Number | MFCD01311804 |
| SMILES | C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F |
| Synonym | diflufenican,n-2,4-difluorophenyl-2-3-trifluoromethyl phenoxy nicotinamide,diflufenicanil,diflufenican bsi:iso,unii-3t8d1vdo6k,n-2,4-difluorophenyl-2-3-trifluoromethyl phenoxy pyridine-3-carboxamide,3t8d1vdo6k,2',4'-difluoro-2-alpha,alpha,alpha-trifluoro-m-tolyloxy nicotinanilide,n-2,4-difluorophenyl-2-3-trifluoromethyl phenoxy-3-pyridinecarboxamide |
| IUPAC Name | N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide |
| InChI Key | WYEHFWKAOXOVJD-UHFFFAOYSA-N |
| Molecular Formula | C19H11F5N2O2 |
4-Hydroxy-3-methoxyphenylpyruvic Acid 95.0+%, TCI America™
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CAS: 1081-71-6 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.185 MDL Number: MFCD00056707 InChI Key: YGQHQTMRZPHIBB-UHFFFAOYSA-N PubChem CID: 14124 IUPAC Name: 3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid SMILES: COC1=C(C=CC(=C1)CC(=O)C(=O)O)O
| PubChem CID | 14124 |
|---|---|
| CAS | 1081-71-6 |
| Molecular Weight (g/mol) | 210.185 |
| MDL Number | MFCD00056707 |
| SMILES | COC1=C(C=CC(=C1)CC(=O)C(=O)O)O |
| IUPAC Name | 3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid |
| InChI Key | YGQHQTMRZPHIBB-UHFFFAOYSA-N |
| Molecular Formula | C10H10O5 |
[8-(Glycidyloxy)-n-octyl]trimethoxysilane 97.0+%, TCI America™
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CAS: 1239602-38-0 Molecular Formula: C14H30O5Si Molecular Weight (g/mol): 306.474 InChI Key: QYJYJTDXBIYRHH-UHFFFAOYSA-N PubChem CID: 102529357 IUPAC Name: trimethoxy-[8-(oxiran-2-ylmethoxy)octyl]silane SMILES: CO[Si](CCCCCCCCOCC1CO1)(OC)OC
| PubChem CID | 102529357 |
|---|---|
| CAS | 1239602-38-0 |
| Molecular Weight (g/mol) | 306.474 |
| SMILES | CO[Si](CCCCCCCCOCC1CO1)(OC)OC |
| IUPAC Name | trimethoxy-[8-(oxiran-2-ylmethoxy)octyl]silane |
| InChI Key | QYJYJTDXBIYRHH-UHFFFAOYSA-N |
| Molecular Formula | C14H30O5Si |