Organic acids and derivatives
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Diethyl methylphosphonate, 97%, Thermo Scientific Chemicals
CAS: 683-08-9 Molecular Formula: C5H13O3P Molecular Weight (g/mol): 152.13 MDL Number: MFCD00009813 InChI Key: NYYLZXREFNYPKB-UHFFFAOYSA-N Synonym: diethyl methylphosphonate,diethyl methanephosphonate,phosphonic acid, methyl-, diethyl ester,demp,1-ethoxy methyl phosphoryl oxyethane,methyl-phosphonicacidiethylester,diethylmethylphosphonate,diethyl methyphosphonate,diethoxymethylphosphine oxide,acmc-1b13h PubChem CID: 12685 IUPAC Name: 1-[ethoxy(methyl)phosphoryl]oxyethane SMILES: CCOP(C)(=O)OCC
| PubChem CID | 12685 |
|---|---|
| CAS | 683-08-9 |
| Molecular Weight (g/mol) | 152.13 |
| MDL Number | MFCD00009813 |
| SMILES | CCOP(C)(=O)OCC |
| Synonym | diethyl methylphosphonate,diethyl methanephosphonate,phosphonic acid, methyl-, diethyl ester,demp,1-ethoxy methyl phosphoryl oxyethane,methyl-phosphonicacidiethylester,diethylmethylphosphonate,diethyl methyphosphonate,diethoxymethylphosphine oxide,acmc-1b13h |
| IUPAC Name | 1-[ethoxy(methyl)phosphoryl]oxyethane |
| InChI Key | NYYLZXREFNYPKB-UHFFFAOYSA-N |
| Molecular Formula | C5H13O3P |
(3-Aminopropyl)phosphonic acid, 97%, Thermo Scientific Chemicals
CAS: 13138-33-5 Molecular Formula: C3H10NO3P Molecular Weight (g/mol): 139.09 MDL Number: MFCD00008222 InChI Key: GSZQTIFGANBTNF-UHFFFAOYSA-N Synonym: 3-aminopropyl phosphonic acid,aminopropylphosphonate,3-aminopropylphosphonicacid,unii-vm92t06vpb,3-amino-propyl-phosphonic acid,phosphonic acid, 3-aminopropyl,vm92t06vpb,3-phosphonopropylamine,phosphate analogue, 8,pubchem10325 PubChem CID: 97587 IUPAC Name: 3-aminopropylphosphonic acid SMILES: C(CN)CP(=O)(O)O
| PubChem CID | 97587 |
|---|---|
| CAS | 13138-33-5 |
| Molecular Weight (g/mol) | 139.09 |
| MDL Number | MFCD00008222 |
| SMILES | C(CN)CP(=O)(O)O |
| Synonym | 3-aminopropyl phosphonic acid,aminopropylphosphonate,3-aminopropylphosphonicacid,unii-vm92t06vpb,3-amino-propyl-phosphonic acid,phosphonic acid, 3-aminopropyl,vm92t06vpb,3-phosphonopropylamine,phosphate analogue, 8,pubchem10325 |
| IUPAC Name | 3-aminopropylphosphonic acid |
| InChI Key | GSZQTIFGANBTNF-UHFFFAOYSA-N |
| Molecular Formula | C3H10NO3P |
Potassium thioacetate, 98%
CAS: 10387-40-3 Molecular Formula: C2H4KOS Molecular Weight (g/mol): 115.211 MDL Number: MFCD00083065 InChI Key: SDJHDRMYZQFJJO-UHFFFAOYSA-N Synonym: potassium thioacetate,ethanethioic s-acid; potassium,schiff reagent potassium PubChem CID: 24201352 IUPAC Name: ethanethioic S-acid;potassium SMILES: CC(=O)S.[K]
| PubChem CID | 24201352 |
|---|---|
| CAS | 10387-40-3 |
| Molecular Weight (g/mol) | 115.211 |
| MDL Number | MFCD00083065 |
| SMILES | CC(=O)S.[K] |
| Synonym | potassium thioacetate,ethanethioic s-acid; potassium,schiff reagent potassium |
| IUPAC Name | ethanethioic S-acid;potassium |
| InChI Key | SDJHDRMYZQFJJO-UHFFFAOYSA-N |
| Molecular Formula | C2H4KOS |
Levulinic Acid, 98+%
CAS: 123-76-2 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 MDL Number: MFCD00002796 InChI Key: JOOXCMJARBKPKM-UHFFFAOYSA-N Synonym: levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid PubChem CID: 11579 ChEBI: CHEBI:45630 IUPAC Name: 4-oxopentanoic acid SMILES: CC(=O)CCC(=O)O
| PubChem CID | 11579 |
|---|---|
| CAS | 123-76-2 |
| Molecular Weight (g/mol) | 116.12 |
| ChEBI | CHEBI:45630 |
| MDL Number | MFCD00002796 |
| SMILES | CC(=O)CCC(=O)O |
| Synonym | levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid |
| IUPAC Name | 4-oxopentanoic acid |
| InChI Key | JOOXCMJARBKPKM-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
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 |
O-(1H-Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate, 98%
CAS: 94790-37-1 Molecular Formula: C11H16F6N5OP Molecular Weight (g/mol): 379.247 MDL Number: MFCD00075445 InChI Key: UQYZFNUUOSSNKT-UHFFFAOYSA-N Synonym: hbtu,o-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,2-1h-benzotriazole-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate,hbtu-reagent,o-benzotriazol-1-yl-tetramethyluronium hexafluorophosphate,hbtu o-benzotriazole-n,n,n',n'-tetramethyl-uronium-hexafluoro-phosphate,n,n,n',n'-tetramethyl-o-1h-benzotriazol-1-yl uronium hexafluorophosphate,o-1h-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,o-benzotriazole-n,n,n',n'-tetramethyluronium hexafluorophosphate PubChem CID: 2733084 IUPAC Name: [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate SMILES: CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F
| PubChem CID | 2733084 |
|---|---|
| CAS | 94790-37-1 |
| Molecular Weight (g/mol) | 379.247 |
| MDL Number | MFCD00075445 |
| SMILES | CN(C)C(=[N+](C)C)ON1C2=CC=CC=C2N=N1.F[P-](F)(F)(F)(F)F |
| Synonym | hbtu,o-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,2-1h-benzotriazole-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate,hbtu-reagent,o-benzotriazol-1-yl-tetramethyluronium hexafluorophosphate,hbtu o-benzotriazole-n,n,n',n'-tetramethyl-uronium-hexafluoro-phosphate,n,n,n',n'-tetramethyl-o-1h-benzotriazol-1-yl uronium hexafluorophosphate,o-1h-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,o-benzotriazole-n,n,n',n'-tetramethyluronium hexafluorophosphate |
| IUPAC Name | [benzotriazol-1-yloxy(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate |
| InChI Key | UQYZFNUUOSSNKT-UHFFFAOYSA-N |
| Molecular Formula | C11H16F6N5OP |
Urethane, 97%
CAS: 51-79-6 Molecular Formula: C3H7NO2 Molecular Weight (g/mol): 89.09 MDL Number: MFCD00007966 InChI Key: JOYRKODLDBILNP-UHFFFAOYSA-N Synonym: urethane,urethan,ethylurethane,carbamic acid ethyl ester,ethyl urethane,carbamic acid, ethyl ester,ethylcarbamate,pracarbamine,leucethane,pracarbamin PubChem CID: 5641 ChEBI: CHEBI:17967 IUPAC Name: ethyl carbamate SMILES: CCOC(=O)N
| PubChem CID | 5641 |
|---|---|
| CAS | 51-79-6 |
| Molecular Weight (g/mol) | 89.09 |
| ChEBI | CHEBI:17967 |
| MDL Number | MFCD00007966 |
| SMILES | CCOC(=O)N |
| Synonym | urethane,urethan,ethylurethane,carbamic acid ethyl ester,ethyl urethane,carbamic acid, ethyl ester,ethylcarbamate,pracarbamine,leucethane,pracarbamin |
| IUPAC Name | ethyl carbamate |
| InChI Key | JOYRKODLDBILNP-UHFFFAOYSA-N |
| Molecular Formula | C3H7NO2 |
Potassium formate, 99% (water less than 2%)
CAS: 590-29-4 Molecular Formula: CHKO2 Molecular Weight (g/mol): 84.115 MDL Number: MFCD00013100 InChI Key: WFIZEGIEIOHZCP-UHFFFAOYSA-M Synonym: potassium formate,formic acid potassium salt,formic acid, potassium salt,formic acid, k salt,hcook,mravencan draselny czech,hco2k,formic acid, potassium salt 1:1,potassium formira,64-18-6 parent PubChem CID: 2735122 ChEBI: CHEBI:63316 IUPAC Name: potassium;formate SMILES: C(=O)[O-].[K+]
| PubChem CID | 2735122 |
|---|---|
| CAS | 590-29-4 |
| Molecular Weight (g/mol) | 84.115 |
| ChEBI | CHEBI:63316 |
| MDL Number | MFCD00013100 |
| SMILES | C(=O)[O-].[K+] |
| Synonym | potassium formate,formic acid potassium salt,formic acid, potassium salt,formic acid, k salt,hcook,mravencan draselny czech,hco2k,formic acid, potassium salt 1:1,potassium formira,64-18-6 parent |
| IUPAC Name | potassium;formate |
| InChI Key | WFIZEGIEIOHZCP-UHFFFAOYSA-M |
| Molecular Formula | CHKO2 |
4-Fluoro-1,3-dioxolan-2-one, 98%
CAS: 114435-02-8 Molecular Formula: C3H3FO3 Molecular Weight (g/mol): 106.052 MDL Number: MFCD06247543 InChI Key: SBLRHMKNNHXPHG-UHFFFAOYSA-N Synonym: fluoroethylene carbonate,1,3-dioxolan-2-one, 4-fluoro,fluoro ethylene carbonate,4-fluoro-1,3-dioxalan-2-one,4-fluoro-2-oxo-1,3-dioxolane,4-fluoro-ethylene carbonate,4-fluoro-ethylene carboante,ksc219e1h,fec, lithium ion battery grade PubChem CID: 2769656 IUPAC Name: 4-fluoro-1,3-dioxolan-2-one SMILES: C1C(OC(=O)O1)F
| PubChem CID | 2769656 |
|---|---|
| CAS | 114435-02-8 |
| Molecular Weight (g/mol) | 106.052 |
| MDL Number | MFCD06247543 |
| SMILES | C1C(OC(=O)O1)F |
| Synonym | fluoroethylene carbonate,1,3-dioxolan-2-one, 4-fluoro,fluoro ethylene carbonate,4-fluoro-1,3-dioxalan-2-one,4-fluoro-2-oxo-1,3-dioxolane,4-fluoro-ethylene carbonate,4-fluoro-ethylene carboante,ksc219e1h,fec, lithium ion battery grade |
| IUPAC Name | 4-fluoro-1,3-dioxolan-2-one |
| InChI Key | SBLRHMKNNHXPHG-UHFFFAOYSA-N |
| Molecular Formula | C3H3FO3 |
tert-Butyl acetate, 99%
CAS: 540-88-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008807 InChI Key: WMOVHXAZOJBABW-UHFFFAOYSA-N Synonym: t-butyl acetate,acetic acid tert-butyl ester,tert-butyl ethanoate,acetic acid, 1,1-dimethylethyl ester,texaco lead appreciator,acetic acid, tert-butyl ester,tert-butylacetate,tert butyl acetate,1,1-dimethylethyl acetate,1,1-dimethyl acetate PubChem CID: 10908 IUPAC Name: tert-butyl acetate SMILES: CC(=O)OC(C)(C)C
| PubChem CID | 10908 |
|---|---|
| CAS | 540-88-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00008807 |
| SMILES | CC(=O)OC(C)(C)C |
| Synonym | t-butyl acetate,acetic acid tert-butyl ester,tert-butyl ethanoate,acetic acid, 1,1-dimethylethyl ester,texaco lead appreciator,acetic acid, tert-butyl ester,tert-butylacetate,tert butyl acetate,1,1-dimethylethyl acetate,1,1-dimethyl acetate |
| IUPAC Name | tert-butyl acetate |
| InChI Key | WMOVHXAZOJBABW-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Silver trifluoromethanesulfonate, 99+%
CAS: 2923-28-6 Molecular Formula: CAgF3O3S Molecular Weight (g/mol): 256.93 MDL Number: MFCD00013226 InChI Key: QRUBYZBWAOOHSV-UHFFFAOYSA-M Synonym: silver trifluoromethanesulfonate,silver triflate,agotf,silver trifluoromethanesulphonate,trifluoromethanesulfonic acid silver salt,silver i trifluoromethanesulfonate,silver trifluoromethylsulfonate,methanesulfonic acid, trifluoro-, silver 1+ salt,silver i trifluoromethanesulphonate,silver 1+ ion triflate PubChem CID: 76223 IUPAC Name: silver;trifluoromethanesulfonate SMILES: [Ag+].[O-]S(=O)(=O)C(F)(F)F
| PubChem CID | 76223 |
|---|---|
| CAS | 2923-28-6 |
| Molecular Weight (g/mol) | 256.93 |
| MDL Number | MFCD00013226 |
| SMILES | [Ag+].[O-]S(=O)(=O)C(F)(F)F |
| Synonym | silver trifluoromethanesulfonate,silver triflate,agotf,silver trifluoromethanesulphonate,trifluoromethanesulfonic acid silver salt,silver i trifluoromethanesulfonate,silver trifluoromethylsulfonate,methanesulfonic acid, trifluoro-, silver 1+ salt,silver i trifluoromethanesulphonate,silver 1+ ion triflate |
| IUPAC Name | silver;trifluoromethanesulfonate |
| InChI Key | QRUBYZBWAOOHSV-UHFFFAOYSA-M |
| Molecular Formula | CAgF3O3S |
endo-N-Hydroxy-5-norbornene-2,3-dicarboximide, 97%
CAS: 21715-90-2 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.18 MDL Number: MFCD00065691 InChI Key: ZUSSTQCWRDLYJA-UHFFFAOYNA-N Synonym: honb,n-hydroxy-5-norbornene-2,3-dicarboximide,2-hydroxy-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3 2h-dione,4-hydroxy-4-azatricyclo 5.2.1.0 2,6 dec-8-ene-3,5-dione,n-hydroxynorborn-5-ene-2,3-dicarboximide,n-hydroxy-5-norbornene-2,3-dicarboxylic imide,5-norbornene-2, n-hydroxy,4,7-methano-1h-isoindole-1,3 2h-dione, 3a,4,7,7a-tetrahydro-2-hydroxy,4,3 2h-dione, 3a,4,7,7a-tetrahydro-2-hydroxy,4-hydroxy-4-azatricyclo 5.2.1.0<2,6> dec-8-ene-3,5-dione PubChem CID: 89529 IUPAC Name: 4-hydroxy-4-azatricyclo[5.2.1.0²,⁶]dec-8-ene-3,5-dione SMILES: ON1C(=O)C2C3CC(C=C3)C2C1=O
| PubChem CID | 89529 |
|---|---|
| CAS | 21715-90-2 |
| Molecular Weight (g/mol) | 179.18 |
| MDL Number | MFCD00065691 |
| SMILES | ON1C(=O)C2C3CC(C=C3)C2C1=O |
| Synonym | honb,n-hydroxy-5-norbornene-2,3-dicarboximide,2-hydroxy-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3 2h-dione,4-hydroxy-4-azatricyclo 5.2.1.0 2,6 dec-8-ene-3,5-dione,n-hydroxynorborn-5-ene-2,3-dicarboximide,n-hydroxy-5-norbornene-2,3-dicarboxylic imide,5-norbornene-2, n-hydroxy,4,7-methano-1h-isoindole-1,3 2h-dione, 3a,4,7,7a-tetrahydro-2-hydroxy,4,3 2h-dione, 3a,4,7,7a-tetrahydro-2-hydroxy,4-hydroxy-4-azatricyclo 5.2.1.0<2,6> dec-8-ene-3,5-dione |
| IUPAC Name | 4-hydroxy-4-azatricyclo[5.2.1.0²,⁶]dec-8-ene-3,5-dione |
| InChI Key | ZUSSTQCWRDLYJA-UHFFFAOYNA-N |
| Molecular Formula | C9H9NO3 |
Dimethyl phthalate, 99%
CAS: 131-11-3 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008425 InChI Key: NIQCNGHVCWTJSM-UHFFFAOYSA-N Synonym: dimethyl phthalate,dimethylphthalate,solvanom,solvarone,avolin,fermine,phthalic acid dimethyl ester,mipax,palatinol m,unimoll dm PubChem CID: 8554 ChEBI: CHEBI:4609 SMILES: COC(=O)C1=CC=CC=C1C(=O)OC
| PubChem CID | 8554 |
|---|---|
| CAS | 131-11-3 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:4609 |
| MDL Number | MFCD00008425 |
| SMILES | COC(=O)C1=CC=CC=C1C(=O)OC |
| Synonym | dimethyl phthalate,dimethylphthalate,solvanom,solvarone,avolin,fermine,phthalic acid dimethyl ester,mipax,palatinol m,unimoll dm |
| InChI Key | NIQCNGHVCWTJSM-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
Methyl 4-chlorocinnamate, 99%
CAS: 7560-44-3 Molecular Formula: C10H9ClO2 Molecular Weight (g/mol): 196.63 MDL Number: MFCD00075790 InChI Key: IIBXQGYKZKOORG-QPJJXVBHSA-N Synonym: methyl 4-chlorocinnamate,methyl p-chlorocinnamate,methyl 3-4-chlorophenyl acrylate,4-chlorocinnamic acid methyl ester,cinnamic acid, p-chloro-, methyl ester,2-propenoic acid, 3-4-chlorophenyl-, methyl ester,methyl e-3-4-chlorophenyl prop-2-enoate,e-methyl 3-4-chlorophenyl acrylate,methyl 2e-3-4-chlorophenyl prop-2-enoate,methyl 3-4-chlorophenyl prop-2-enoate PubChem CID: 5314314 IUPAC Name: methyl (E)-3-(4-chlorophenyl)prop-2-enoate SMILES: COC(=O)C=CC1=CC=C(C=C1)Cl
| PubChem CID | 5314314 |
|---|---|
| CAS | 7560-44-3 |
| Molecular Weight (g/mol) | 196.63 |
| MDL Number | MFCD00075790 |
| SMILES | COC(=O)C=CC1=CC=C(C=C1)Cl |
| Synonym | methyl 4-chlorocinnamate,methyl p-chlorocinnamate,methyl 3-4-chlorophenyl acrylate,4-chlorocinnamic acid methyl ester,cinnamic acid, p-chloro-, methyl ester,2-propenoic acid, 3-4-chlorophenyl-, methyl ester,methyl e-3-4-chlorophenyl prop-2-enoate,e-methyl 3-4-chlorophenyl acrylate,methyl 2e-3-4-chlorophenyl prop-2-enoate,methyl 3-4-chlorophenyl prop-2-enoate |
| IUPAC Name | methyl (E)-3-(4-chlorophenyl)prop-2-enoate |
| InChI Key | IIBXQGYKZKOORG-QPJJXVBHSA-N |
| Molecular Formula | C10H9ClO2 |
Triethyl phosphate, 99+%
CAS: 78-40-0 Molecular Formula: C6H15O4P Molecular Weight (g/mol): 182.16 MDL Number: MFCD00009077 InChI Key: DQWPFSLDHJDLRL-UHFFFAOYSA-N Synonym: triethylphosphate,phosphoric acid, triethyl ester,tris ethyl phosphate,triethoxyphosphine oxide,triethylfosfat,ethyl phosphate eto 3po,triethylfosfat czech,ethyl phosphate van,unii-qih4k96k7j,phosphoric acid triethyl ester PubChem CID: 6535 ChEBI: CHEBI:45927 IUPAC Name: triethyl phosphate SMILES: CCOP(=O)(OCC)OCC
| PubChem CID | 6535 |
|---|---|
| CAS | 78-40-0 |
| Molecular Weight (g/mol) | 182.16 |
| ChEBI | CHEBI:45927 |
| MDL Number | MFCD00009077 |
| SMILES | CCOP(=O)(OCC)OCC |
| Synonym | triethylphosphate,phosphoric acid, triethyl ester,tris ethyl phosphate,triethoxyphosphine oxide,triethylfosfat,ethyl phosphate eto 3po,triethylfosfat czech,ethyl phosphate van,unii-qih4k96k7j,phosphoric acid triethyl ester |
| IUPAC Name | triethyl phosphate |
| InChI Key | DQWPFSLDHJDLRL-UHFFFAOYSA-N |
| Molecular Formula | C6H15O4P |