Organic acids and derivatives
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1,1,1,3,3,3-Hexafluoroisopropyl methacrylate, 99%, stab.
CAS: 3063-94-3 Molecular Formula: C7H6F6O2 Molecular Weight (g/mol): 236.113 MDL Number: MFCD00040105 InChI Key: FMQPBWHSNCRVQJ-UHFFFAOYSA-N Synonym: hexafluoroisopropyl methacrylate,1,1,1,3,3,3-hexafluoroisopropyl methacrylate,2-propenoic acid, 2-methyl-, 2,2,2-trifluoro-1-trifluoromethyl ethyl ester,methacrylic acid 1,1,1,3,3,3-hexafluoroisopropyl ester,2,2,2-trifluoro-1-trifluoromethyl ethyl methacrylate,hexafluoro-2-propyl methacrylate,1h-1-trifluoromethyl trifluoroethyl methacrylate,1,1,1,3,3,3-hexafluoroprop-2-yl 2-methylprop-2-enoate,1,1,1,3,3,3-hexafluoro-2-propanyl methacrylate,hfipma PubChem CID: 76469 IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC(C(F)(F)F)C(F)(F)F
| PubChem CID | 76469 |
|---|---|
| CAS | 3063-94-3 |
| Molecular Weight (g/mol) | 236.113 |
| MDL Number | MFCD00040105 |
| SMILES | CC(=C)C(=O)OC(C(F)(F)F)C(F)(F)F |
| Synonym | hexafluoroisopropyl methacrylate,1,1,1,3,3,3-hexafluoroisopropyl methacrylate,2-propenoic acid, 2-methyl-, 2,2,2-trifluoro-1-trifluoromethyl ethyl ester,methacrylic acid 1,1,1,3,3,3-hexafluoroisopropyl ester,2,2,2-trifluoro-1-trifluoromethyl ethyl methacrylate,hexafluoro-2-propyl methacrylate,1h-1-trifluoromethyl trifluoroethyl methacrylate,1,1,1,3,3,3-hexafluoroprop-2-yl 2-methylprop-2-enoate,1,1,1,3,3,3-hexafluoro-2-propanyl methacrylate,hfipma |
| IUPAC Name | 1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate |
| InChI Key | FMQPBWHSNCRVQJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6F6O2 |
| CAS | 5118-06-9 |
|---|---|
| MDL Number | MFCD00055642 |
N,N'-Dicyclohexylurea, 98%
CAS: 2387-23-7 Molecular Formula: C13H24N2O Molecular Weight (g/mol): 224.348 MDL Number: MFCD00003829 InChI Key: ADFXKUOMJKEIND-UHFFFAOYSA-N Synonym: n,n'-dicyclohexylurea,dicyclohexylurea,urea, n,n'-dicyclohexyl,unii-zv7823vvim,chembl1458,zv7823vvim,urea,3-dicyclohexyl,urea,n'-dicyclohexyl,n,n inverted exclamation marka-dicyclohexylurea,urea, 1,3-dicyclohexyl PubChem CID: 4277 IUPAC Name: 1,3-dicyclohexylurea SMILES: C1CCC(CC1)NC(=O)NC2CCCCC2
| PubChem CID | 4277 |
|---|---|
| CAS | 2387-23-7 |
| Molecular Weight (g/mol) | 224.348 |
| MDL Number | MFCD00003829 |
| SMILES | C1CCC(CC1)NC(=O)NC2CCCCC2 |
| Synonym | n,n'-dicyclohexylurea,dicyclohexylurea,urea, n,n'-dicyclohexyl,unii-zv7823vvim,chembl1458,zv7823vvim,urea,3-dicyclohexyl,urea,n'-dicyclohexyl,n,n inverted exclamation marka-dicyclohexylurea,urea, 1,3-dicyclohexyl |
| IUPAC Name | 1,3-dicyclohexylurea |
| InChI Key | ADFXKUOMJKEIND-UHFFFAOYSA-N |
| Molecular Formula | C13H24N2O |
(+)-Griseofulvin, 97%
CAS: 126-07-8 Molecular Formula: C17H17ClO6 Molecular Weight (g/mol): 352.767 MDL Number: MFCD00082343 InChI Key: DDUHZTYCFQRHIY-RBHXEPJQSA-N Synonym: griseofulvin,+-griseofulvin,amudane,fulvicin,griseofulvina,griseofulvinum,grisactin,grisefuline,grisovin,griseofulvine PubChem CID: 441140 ChEBI: CHEBI:27779 IUPAC Name: (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione SMILES: CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
| PubChem CID | 441140 |
|---|---|
| CAS | 126-07-8 |
| Molecular Weight (g/mol) | 352.767 |
| ChEBI | CHEBI:27779 |
| MDL Number | MFCD00082343 |
| SMILES | CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC |
| Synonym | griseofulvin,+-griseofulvin,amudane,fulvicin,griseofulvina,griseofulvinum,grisactin,grisefuline,grisovin,griseofulvine |
| IUPAC Name | (2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione |
| InChI Key | DDUHZTYCFQRHIY-RBHXEPJQSA-N |
| Molecular Formula | C17H17ClO6 |
5-Methoxy-2-benzimidazolinone, 98%
CAS: 2080-75-3 Molecular Formula: C8H8N2O2 Molecular Weight (g/mol): 164.164 MDL Number: MFCD00051946 InChI Key: AUPLVAKFTYFHTA-UHFFFAOYSA-N Synonym: 5-methoxy-2-benzimidazolinone,5-methoxy-1h-benzo d imidazol-2 3h-one,2-hydroxy-5-methoxybenzimidazole,5-methoxy-2-hydroxybenzimidazole,2h-benzimidazol-2-one, 1,3-dihydro-5-methoxy,5-methoxy-benzimidazolin-2-one,5-methoxy-1,3-dihydro-benzoimidazol-2-one,5-methoxy-1h-1,3-benzodiazol-2-ol,1,3-dihydro-5-methoxy-2h-benzimidazol-2-one,1,3-dihydro-5-methoxy-2h-benzimidazole-2-one PubChem CID: 591101 IUPAC Name: 5-methoxy-1,3-dihydrobenzimidazol-2-one SMILES: COC1=CC2=C(C=C1)NC(=O)N2
| PubChem CID | 591101 |
|---|---|
| CAS | 2080-75-3 |
| Molecular Weight (g/mol) | 164.164 |
| MDL Number | MFCD00051946 |
| SMILES | COC1=CC2=C(C=C1)NC(=O)N2 |
| Synonym | 5-methoxy-2-benzimidazolinone,5-methoxy-1h-benzo d imidazol-2 3h-one,2-hydroxy-5-methoxybenzimidazole,5-methoxy-2-hydroxybenzimidazole,2h-benzimidazol-2-one, 1,3-dihydro-5-methoxy,5-methoxy-benzimidazolin-2-one,5-methoxy-1,3-dihydro-benzoimidazol-2-one,5-methoxy-1h-1,3-benzodiazol-2-ol,1,3-dihydro-5-methoxy-2h-benzimidazol-2-one,1,3-dihydro-5-methoxy-2h-benzimidazole-2-one |
| IUPAC Name | 5-methoxy-1,3-dihydrobenzimidazol-2-one |
| InChI Key | AUPLVAKFTYFHTA-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O2 |
N-(n-Butyl)phthalimide, 99%
CAS: 1515-72-6 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00039695 InChI Key: DLKDEVCJRCPTLN-UHFFFAOYSA-N Synonym: n-butylphthalimide,2-butylisoindoline-1,3-dione,n-n-butyl phthalimide,1-phthalimidobutane,phthalimide, n-butyl,1h-isoindole-1,3 2h-dione, 2-butyl,unii-5th1dkt35e,2-butyl-1h-isoindole-1,3 2h-dione,5th1dkt35e,2-butylbenzo c azoline-1,3-dione PubChem CID: 73812 IUPAC Name: 2-butylisoindole-1,3-dione SMILES: CCCCN1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 73812 |
|---|---|
| CAS | 1515-72-6 |
| Molecular Weight (g/mol) | 203.241 |
| MDL Number | MFCD00039695 |
| SMILES | CCCCN1C(=O)C2=CC=CC=C2C1=O |
| Synonym | n-butylphthalimide,2-butylisoindoline-1,3-dione,n-n-butyl phthalimide,1-phthalimidobutane,phthalimide, n-butyl,1h-isoindole-1,3 2h-dione, 2-butyl,unii-5th1dkt35e,2-butyl-1h-isoindole-1,3 2h-dione,5th1dkt35e,2-butylbenzo c azoline-1,3-dione |
| IUPAC Name | 2-butylisoindole-1,3-dione |
| InChI Key | DLKDEVCJRCPTLN-UHFFFAOYSA-N |
| Molecular Formula | C12H13NO2 |
tert-Butyl chloroacetate, 98%
CAS: 107-59-5 Molecular Formula: C6H11ClO2 Molecular Weight (g/mol): 150.602 MDL Number: MFCD00000930 InChI Key: KUYMVWXKHQSIAS-UHFFFAOYSA-N Synonym: tert-butyl chloroacetate,chloroacetic acid tert-butyl ester,acetic acid, chloro-, 1,1-dimethylethyl ester,t-butyl chloroacetate,tert-butylchloroacetate,acetic acid, chloro-, tert-butyl ester,chloroacetic acid t-butyl ester,acetic acid, 2-chloro-, 1,1-dimethylethyl ester,t-butylchloroacetate,t-butyl-chloroacetate PubChem CID: 66052 IUPAC Name: tert-butyl 2-chloroacetate SMILES: CC(C)(C)OC(=O)CCl
| PubChem CID | 66052 |
|---|---|
| CAS | 107-59-5 |
| Molecular Weight (g/mol) | 150.602 |
| MDL Number | MFCD00000930 |
| SMILES | CC(C)(C)OC(=O)CCl |
| Synonym | tert-butyl chloroacetate,chloroacetic acid tert-butyl ester,acetic acid, chloro-, 1,1-dimethylethyl ester,t-butyl chloroacetate,tert-butylchloroacetate,acetic acid, chloro-, tert-butyl ester,chloroacetic acid t-butyl ester,acetic acid, 2-chloro-, 1,1-dimethylethyl ester,t-butylchloroacetate,t-butyl-chloroacetate |
| IUPAC Name | tert-butyl 2-chloroacetate |
| InChI Key | KUYMVWXKHQSIAS-UHFFFAOYSA-N |
| Molecular Formula | C6H11ClO2 |
sec-Butyl acetate, 98%
CAS: 105-46-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009328 InChI Key: DCKVNWZUADLDEH-UHFFFAOYNA-N Synonym: sec-butyl acetate,dl-sec-butyl acetate,2-butyl acetate,acetic acid, 1-methylpropyl ester,1-methylpropyl acetate,sec-butyl ethanoate,1-methylpropyl ethanoate,acetic acid, sec-butyl ester,2-butanol acetate,sec-butyl alcohol acetate PubChem CID: 7758 IUPAC Name: butan-2-yl acetate SMILES: CCC(C)OC(C)=O
| PubChem CID | 7758 |
|---|---|
| CAS | 105-46-4 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00009328 |
| SMILES | CCC(C)OC(C)=O |
| Synonym | sec-butyl acetate,dl-sec-butyl acetate,2-butyl acetate,acetic acid, 1-methylpropyl ester,1-methylpropyl acetate,sec-butyl ethanoate,1-methylpropyl ethanoate,acetic acid, sec-butyl ester,2-butanol acetate,sec-butyl alcohol acetate |
| IUPAC Name | butan-2-yl acetate |
| InChI Key | DCKVNWZUADLDEH-UHFFFAOYNA-N |
| Molecular Formula | C6H12O2 |
trans-2-Hexenyl acetate, 98%
CAS: 2497-18-9 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00009474 InChI Key: HRHOWZHRCRZVCU-AATRIKPKSA-N Synonym: z-hex-2-enyl acetate,unii-pt792bq57d,2-hexen-1-ol, acetate, z,z-2-hexenyl acetate,fema no. 2564,2-hexen-1-yl acetate, trans,2-hexen-1-ol, acetate, 2e,2-hexenyl acetate, trans,hexenyl acetate, 2z PubChem CID: 2733294 IUPAC Name: [(E)-hex-2-enyl] acetate SMILES: CCCC=CCOC(=O)C
| PubChem CID | 2733294 |
|---|---|
| CAS | 2497-18-9 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00009474 |
| SMILES | CCCC=CCOC(=O)C |
| Synonym | z-hex-2-enyl acetate,unii-pt792bq57d,2-hexen-1-ol, acetate, z,z-2-hexenyl acetate,fema no. 2564,2-hexen-1-yl acetate, trans,2-hexen-1-ol, acetate, 2e,2-hexenyl acetate, trans,hexenyl acetate, 2z |
| IUPAC Name | [(E)-hex-2-enyl] acetate |
| InChI Key | HRHOWZHRCRZVCU-AATRIKPKSA-N |
| Molecular Formula | C8H14O2 |
Diethyl 4-aminobenzylphosphonate, 99%
CAS: 20074-79-7 Molecular Formula: C11H18NO3P Molecular Weight (g/mol): 243.24 MDL Number: MFCD00007913 InChI Key: ZVAYUUUQOCPZCZ-UHFFFAOYSA-N Synonym: diethyl 4-aminobenzylphosphonate,diethyl p-aminobenzylphosphonate,4-diethoxyphosphorylmethyl aniline,p-aminobenzylphosphonic acid diethyl ester,diethyl p-aminobenzyl phosphonate,phosphonic acid, p-aminobenzyl-, diethyl ester,diethyl 4-aminophenyl methylphosphonate,phosphonic acid, 4-aminophenyl methyl-, diethyl ester,timtec-bb sbb000830 PubChem CID: 88358 SMILES: CCOP(=O)(CC1=CC=C(N)C=C1)OCC
| PubChem CID | 88358 |
|---|---|
| CAS | 20074-79-7 |
| Molecular Weight (g/mol) | 243.24 |
| MDL Number | MFCD00007913 |
| SMILES | CCOP(=O)(CC1=CC=C(N)C=C1)OCC |
| Synonym | diethyl 4-aminobenzylphosphonate,diethyl p-aminobenzylphosphonate,4-diethoxyphosphorylmethyl aniline,p-aminobenzylphosphonic acid diethyl ester,diethyl p-aminobenzyl phosphonate,phosphonic acid, p-aminobenzyl-, diethyl ester,diethyl 4-aminophenyl methylphosphonate,phosphonic acid, 4-aminophenyl methyl-, diethyl ester,timtec-bb sbb000830 |
| InChI Key | ZVAYUUUQOCPZCZ-UHFFFAOYSA-N |
| Molecular Formula | C11H18NO3P |
Aminomethanesulfonic acid, 97%
CAS: 13881-91-9 Molecular Formula: CH5NO3S Molecular Weight (g/mol): 111.115 MDL Number: MFCD00008124 InChI Key: OBESRABRARNZJB-UHFFFAOYSA-N Synonym: methanesulfonic acid, amino,aminomethanesulphonic acid,aminomethyl sulfonic acid,aminomethylsulfonic acid,unii-ola224z482,methanesulfonic acid, 1-amino,aminomethanesulfonicacid,sodium aminomethanesulphonate,aminomethanesulfonic,aminomethanesulfoniccid PubChem CID: 83791 IUPAC Name: aminomethanesulfonic acid SMILES: C(N)S(=O)(=O)O
| PubChem CID | 83791 |
|---|---|
| CAS | 13881-91-9 |
| Molecular Weight (g/mol) | 111.115 |
| MDL Number | MFCD00008124 |
| SMILES | C(N)S(=O)(=O)O |
| Synonym | methanesulfonic acid, amino,aminomethanesulphonic acid,aminomethyl sulfonic acid,aminomethylsulfonic acid,unii-ola224z482,methanesulfonic acid, 1-amino,aminomethanesulfonicacid,sodium aminomethanesulphonate,aminomethanesulfonic,aminomethanesulfoniccid |
| IUPAC Name | aminomethanesulfonic acid |
| InChI Key | OBESRABRARNZJB-UHFFFAOYSA-N |
| Molecular Formula | CH5NO3S |
Ethyl levulinate, 98%
CAS: 539-88-8 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009209 InChI Key: GMEONFUTDYJSNV-UHFFFAOYSA-N Synonym: ethyl levulinate,ethyl levulate,ethyl laevulinate,levulinic acid, ethyl ester,ethyl 4-ketovalerate,ethyl 3-acetylpropionate,ethyl 4-oxovalerate,pentanoic acid, 4-oxo-, ethyl ester,ethyl ketovalerate,ethyl acetylpropanoate PubChem CID: 10883 IUPAC Name: ethyl 4-oxopentanoate SMILES: CCOC(=O)CCC(C)=O
| PubChem CID | 10883 |
|---|---|
| CAS | 539-88-8 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009209 |
| SMILES | CCOC(=O)CCC(C)=O |
| Synonym | ethyl levulinate,ethyl levulate,ethyl laevulinate,levulinic acid, ethyl ester,ethyl 4-ketovalerate,ethyl 3-acetylpropionate,ethyl 4-oxovalerate,pentanoic acid, 4-oxo-, ethyl ester,ethyl ketovalerate,ethyl acetylpropanoate |
| IUPAC Name | ethyl 4-oxopentanoate |
| InChI Key | GMEONFUTDYJSNV-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
2,2,3,3-d(4)-3-(Trimethylsilyl)propionic acid sodium salt, 98+ atom % D
CAS: 24493-21-8 Molecular Formula: C6H13NaO2Si Molecular Weight (g/mol): 172.267 MDL Number: MFCD00002762 InChI Key: OIIWPAYIXDCDNL-HGFPCDIYSA-M Synonym: sodium 3-trimethylsilyl 2,2,3,3-2h4 propionate,3-trimethylsilyl propionic acid-d4 sodium salt,2,2,3,3-d4-3-trimethylsilyl propionic acid sodium salt,sodium 3-trimethylsilyl 2 h? propanoate,sodium 3-trimethylsilyl 2h4 propanoate,tsp-d4,propanoic-2,2,3,3-d4 acid, 3-trimethylsilyl-, sodium salt,sodium 3-trimethylsilyl propionate-2,2,3,3-d4,3-trimethylsilyl propionic-2,2,3,3-d4 acid sodium salt,sodium-3-trimethylsilyl-2,2,3,3-tetradeuteriopropionate PubChem CID: 23688921 IUPAC Name: sodium;2,2,3,3-tetradeuterio-3-trimethylsilylpropanoate SMILES: C[Si](C)(C)CCC(=O)[O-].[Na+]
| PubChem CID | 23688921 |
|---|---|
| CAS | 24493-21-8 |
| Molecular Weight (g/mol) | 172.267 |
| MDL Number | MFCD00002762 |
| SMILES | C[Si](C)(C)CCC(=O)[O-].[Na+] |
| Synonym | sodium 3-trimethylsilyl 2,2,3,3-2h4 propionate,3-trimethylsilyl propionic acid-d4 sodium salt,2,2,3,3-d4-3-trimethylsilyl propionic acid sodium salt,sodium 3-trimethylsilyl 2 h? propanoate,sodium 3-trimethylsilyl 2h4 propanoate,tsp-d4,propanoic-2,2,3,3-d4 acid, 3-trimethylsilyl-, sodium salt,sodium 3-trimethylsilyl propionate-2,2,3,3-d4,3-trimethylsilyl propionic-2,2,3,3-d4 acid sodium salt,sodium-3-trimethylsilyl-2,2,3,3-tetradeuteriopropionate |
| IUPAC Name | sodium;2,2,3,3-tetradeuterio-3-trimethylsilylpropanoate |
| InChI Key | OIIWPAYIXDCDNL-HGFPCDIYSA-M |
| Molecular Formula | C6H13NaO2Si |
Methyl 4-bromocrotonate, tech. 85%
CAS: 1117-71-1 Molecular Formula: C5H7BrO2 Molecular Weight (g/mol): 179.01 MDL Number: MFCD00000246,MFCD09998308 InChI Key: RWIKCBHOVNDESJ-NSCUHMNNSA-N Synonym: methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester PubChem CID: 5369175 IUPAC Name: methyl (E)-4-bromobut-2-enoate SMILES: COC(=O)\C=C\CBr
| PubChem CID | 5369175 |
|---|---|
| CAS | 1117-71-1 |
| Molecular Weight (g/mol) | 179.01 |
| MDL Number | MFCD00000246,MFCD09998308 |
| SMILES | COC(=O)\C=C\CBr |
| Synonym | methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester |
| IUPAC Name | methyl (E)-4-bromobut-2-enoate |
| InChI Key | RWIKCBHOVNDESJ-NSCUHMNNSA-N |
| Molecular Formula | C5H7BrO2 |
Phenylpropiolic acid, 98+%
CAS: 637-44-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 MDL Number: MFCD00004361 InChI Key: XNERWVPQCYSMLC-UHFFFAOYSA-N Synonym: phenylpropiolic acid,3-phenylpropiolic acid,phenylpropynoic acid,3-phenylpropynoic acid,2-propynoic acid, 3-phenyl,phenylacetylenecarboxylic acid,3-phenyl-2-propynoic acid,phenylacetylene monocarboxylic acid,propiolic acid, 3-phenyl,phenyl propiolic acid PubChem CID: 69475 IUPAC Name: 3-phenylprop-2-ynoic acid SMILES: OC(=O)C#CC1=CC=CC=C1
| PubChem CID | 69475 |
|---|---|
| CAS | 637-44-5 |
| Molecular Weight (g/mol) | 146.15 |
| MDL Number | MFCD00004361 |
| SMILES | OC(=O)C#CC1=CC=CC=C1 |
| Synonym | phenylpropiolic acid,3-phenylpropiolic acid,phenylpropynoic acid,3-phenylpropynoic acid,2-propynoic acid, 3-phenyl,phenylacetylenecarboxylic acid,3-phenyl-2-propynoic acid,phenylacetylene monocarboxylic acid,propiolic acid, 3-phenyl,phenyl propiolic acid |
| IUPAC Name | 3-phenylprop-2-ynoic acid |
| InChI Key | XNERWVPQCYSMLC-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |