Organic acids and derivatives
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3-(3-Bromophenyl)propionic acid, 97%
CAS: 42287-90-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD01310792 InChI Key: DWKWMFSWLCIMKI-UHFFFAOYSA-N Synonym: 3-3-bromophenyl propanoic acid,3-3-bromophenyl propionic acid,3-3-bromo-phenyl-propionic acid,3-bromophenylpropanoic acid,acmc-209jor,m-bromohydrocinnamic acid,3-bromohydrocinnamic acid,benzenepropanoic acid,3-bromo,3-3-bromophenyl propionicacid,3-m-bromophenyl propionic acid PubChem CID: 2063862 IUPAC Name: 3-(3-bromophenyl)propanoic acid SMILES: C1=CC(=CC(=C1)Br)CCC(=O)O
| PubChem CID | 2063862 |
|---|---|
| CAS | 42287-90-1 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD01310792 |
| SMILES | C1=CC(=CC(=C1)Br)CCC(=O)O |
| Synonym | 3-3-bromophenyl propanoic acid,3-3-bromophenyl propionic acid,3-3-bromo-phenyl-propionic acid,3-bromophenylpropanoic acid,acmc-209jor,m-bromohydrocinnamic acid,3-bromohydrocinnamic acid,benzenepropanoic acid,3-bromo,3-3-bromophenyl propionicacid,3-m-bromophenyl propionic acid |
| IUPAC Name | 3-(3-bromophenyl)propanoic acid |
| InChI Key | DWKWMFSWLCIMKI-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
Guanosine-5'-monophosphate, Free acid, ≥98%, MP Biomedicals™
CAS: 85-32-5 Molecular Formula: C10H14N5O8P Molecular Weight (g/mol): 363.223 InChI Key: RQFCJASXJCIDSX-UUOKFMHZSA-N Synonym: 5'-guanylic acid,guanosine monophosphate,guanylic acid,guanosine-5'-monophosphate,guanosine 5'-monophosphate,5'-gmp,guanosine 5'-phosphate,guanylate,guanidine monophosphate,guanosine-phosphate PubChem CID: 6804 ChEBI: CHEBI:17345 IUPAC Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=O)N
| PubChem CID | 6804 |
|---|---|
| CAS | 85-32-5 |
| Molecular Weight (g/mol) | 363.223 |
| ChEBI | CHEBI:17345 |
| SMILES | C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=O)N |
| Synonym | 5'-guanylic acid,guanosine monophosphate,guanylic acid,guanosine-5'-monophosphate,guanosine 5'-monophosphate,5'-gmp,guanosine 5'-phosphate,guanylate,guanidine monophosphate,guanosine-phosphate |
| IUPAC Name | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate |
| InChI Key | RQFCJASXJCIDSX-UUOKFMHZSA-N |
| Molecular Formula | C10H14N5O8P |
Vinylphosphonic acid, 90%, technical, Thermo Scientific Chemicals
CAS: 1746-03-8 Molecular Formula: C2H3O3P Molecular Weight (g/mol): 106.02 MDL Number: MFCD00043866 InChI Key: ZTWTYVWXUKTLCP-UHFFFAOYSA-L Synonym: vinylphosphonic acid,phosphonic acid, ethenyl-, homopolymer,vinyl-phosphonicaci,ethenephosphonicacid,ethenylphosphonicacid,ethenyl-phosphonicaci,ethylenephosphonicacid,phosphonic acid, p-ethenyl-, homopolymer,acmc-1bvr6,poly vinylphosphonic acid PubChem CID: 168725 IUPAC Name: ethenylphosphonic acid SMILES: [O-]P([O-])(=O)C=C
| PubChem CID | 168725 |
|---|---|
| CAS | 1746-03-8 |
| Molecular Weight (g/mol) | 106.02 |
| MDL Number | MFCD00043866 |
| SMILES | [O-]P([O-])(=O)C=C |
| Synonym | vinylphosphonic acid,phosphonic acid, ethenyl-, homopolymer,vinyl-phosphonicaci,ethenephosphonicacid,ethenylphosphonicacid,ethenyl-phosphonicaci,ethylenephosphonicacid,phosphonic acid, p-ethenyl-, homopolymer,acmc-1bvr6,poly vinylphosphonic acid |
| IUPAC Name | ethenylphosphonic acid |
| InChI Key | ZTWTYVWXUKTLCP-UHFFFAOYSA-L |
| Molecular Formula | C2H3O3P |
| CAS | 5118-06-9 |
|---|---|
| MDL Number | MFCD00055642 |
1,3-Bis(hydroxymethyl)urea, tech. 90%
CAS: 140-95-4 Molecular Formula: C3H8N2O3 Molecular Weight (g/mol): 120.11 MDL Number: MFCD00014414 InChI Key: QUBQYFYWUJJAAK-UHFFFAOYSA-N Synonym: 1,3-bis hydroxymethyl urea,dimethylolurea,oxymethurea,n,n'-dimethylolurea,methural,carbamol,caurite,metural,urofix,protesine dmu PubChem CID: 8827 IUPAC Name: 1,3-bis(hydroxymethyl)urea SMILES: OCNC(=O)NCO
| PubChem CID | 8827 |
|---|---|
| CAS | 140-95-4 |
| Molecular Weight (g/mol) | 120.11 |
| MDL Number | MFCD00014414 |
| SMILES | OCNC(=O)NCO |
| Synonym | 1,3-bis hydroxymethyl urea,dimethylolurea,oxymethurea,n,n'-dimethylolurea,methural,carbamol,caurite,metural,urofix,protesine dmu |
| IUPAC Name | 1,3-bis(hydroxymethyl)urea |
| InChI Key | QUBQYFYWUJJAAK-UHFFFAOYSA-N |
| Molecular Formula | C3H8N2O3 |
Ethyl 3-ethoxyacrylate, 98%
CAS: 1001-26-9 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009863 InChI Key: ITQFPVUDTFABDH-AATRIKPKSA-N Synonym: ethyl 3-ethoxyacrylate,e-ethyl 3-ethoxyacrylate,ethyl 3-ethoxy-2-propenoate,ethyl trans-3-ethoxyacrylate,ethyl .beta.-ethoxyacrylate,3-ethoxyacrylic acid ethyl ester,ethyl 2e-3-ethoxyprop-2-enoate,e-3-ethoxy-acrylic acid ethyl ester,ethyl3-ethoxyacrylate,ethyl 3-ethoxypropenoate PubChem CID: 5366269 IUPAC Name: ethyl (E)-3-ethoxyprop-2-enoate SMILES: CCOC=CC(=O)OCC
| PubChem CID | 5366269 |
|---|---|
| CAS | 1001-26-9 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009863 |
| SMILES | CCOC=CC(=O)OCC |
| Synonym | ethyl 3-ethoxyacrylate,e-ethyl 3-ethoxyacrylate,ethyl 3-ethoxy-2-propenoate,ethyl trans-3-ethoxyacrylate,ethyl .beta.-ethoxyacrylate,3-ethoxyacrylic acid ethyl ester,ethyl 2e-3-ethoxyprop-2-enoate,e-3-ethoxy-acrylic acid ethyl ester,ethyl3-ethoxyacrylate,ethyl 3-ethoxypropenoate |
| IUPAC Name | ethyl (E)-3-ethoxyprop-2-enoate |
| InChI Key | ITQFPVUDTFABDH-AATRIKPKSA-N |
| Molecular Formula | C7H12O3 |
Tris(2-butoxyethyl) phosphate, 95%
CAS: 78-51-3 Molecular Formula: C18H39O7P Molecular Weight (g/mol): 398.48 MDL Number: MFCD00009456 InChI Key: WTLBZVNBAKMVDP-UHFFFAOYSA-N Synonym: tris 2-butoxyethyl phosphate,tbep,phosflex t-bep,tris butoxyethyl phosphate,tributoxyethyl phosphate,tri butoxyethyl phosphate,kronitex kp-140,tributyl cellosolve phosphate,ethanol, 2-butoxy-, phosphate 3:1,tri 2-butoxyethyl phosphate PubChem CID: 6540 ChEBI: CHEBI:35038 IUPAC Name: tris(2-butoxyethyl) phosphate SMILES: CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
| PubChem CID | 6540 |
|---|---|
| CAS | 78-51-3 |
| Molecular Weight (g/mol) | 398.48 |
| ChEBI | CHEBI:35038 |
| MDL Number | MFCD00009456 |
| SMILES | CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC |
| Synonym | tris 2-butoxyethyl phosphate,tbep,phosflex t-bep,tris butoxyethyl phosphate,tributoxyethyl phosphate,tri butoxyethyl phosphate,kronitex kp-140,tributyl cellosolve phosphate,ethanol, 2-butoxy-, phosphate 3:1,tri 2-butoxyethyl phosphate |
| IUPAC Name | tris(2-butoxyethyl) phosphate |
| InChI Key | WTLBZVNBAKMVDP-UHFFFAOYSA-N |
| Molecular Formula | C18H39O7P |
Methyl formate, 98%, for spectroscopy
CAS: 107-31-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00003291 InChI Key: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC Name: methyl formate SMILES: COC=O
| PubChem CID | 7865 |
|---|---|
| CAS | 107-31-3 |
| Molecular Weight (g/mol) | 60.05 |
| ChEBI | CHEBI:77699 |
| MDL Number | MFCD00003291 |
| SMILES | COC=O |
| Synonym | formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 |
| IUPAC Name | methyl formate |
| InChI Key | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| Molecular Formula | C2H4O2 |
Ethyl 2-bromo-3-methylbutyrate, 95%
CAS: 609-12-1 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.08 InChI Key: WNFUWONOILPKNX-UHFFFAOYSA-N Synonym: ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate PubChem CID: 79068 IUPAC Name: ethyl 2-bromo-3-methylbutanoate SMILES: CCOC(=O)C(C(C)C)Br
| PubChem CID | 79068 |
|---|---|
| CAS | 609-12-1 |
| Molecular Weight (g/mol) | 209.08 |
| SMILES | CCOC(=O)C(C(C)C)Br |
| Synonym | ethyl 2-bromoisovalerate,ethyl 2-bromo-3-methylbutyrate,butanoic acid, 2-bromo-3-methyl-, ethyl ester,ethyl .alpha.-bromoisovalerate,2-bromoisovaleric acid ethyl ester,butyric acid, 2-bromo-3-methyl-, ethyl ester,ethyl 2-bromo-3-methyl-butanoate,.alpha.-bromoisovaleric acid ethyl ester,ethyl,a-bromoisovalerate,ethyl 2-bromo isovalerate |
| IUPAC Name | ethyl 2-bromo-3-methylbutanoate |
| InChI Key | WNFUWONOILPKNX-UHFFFAOYSA-N |
| Molecular Formula | C7H13BrO2 |
3-Amino-4,5-dihydro-1-phenyl-1H-pyrazole, 98+%
CAS: 3314-35-0 Molecular Formula: C9H11N3 Molecular Weight (g/mol): 161.208 MDL Number: MFCD00051730 InChI Key: QENUTIJJGGTTPE-UHFFFAOYSA-N Synonym: 1-phenyl-4,5-dihydro-1h-pyrazol-3-amine,2-pyrazoline, 3-amino-1-phenyl,1-fenyl-3-aminopyrazolin,3-amino-1-phenyl-2-pyrazoline,1-phenyl-4,5-dihydro-1h-pyrazol-3-ylamine,3-amino-4,5-dihydro-1-phenylpyrazole,pyrazolidine, 3-imino-1-phenyl,4,5-dihydro-1-phenyl-1h-pyrazol-3-amine,3-amino-1-fenyl-2-pyrazolin,1-phenyl-3-amino-2-pyrazoline PubChem CID: 98736 IUPAC Name: 2-phenyl-3,4-dihydropyrazol-5-amine SMILES: C1CN(N=C1N)C2=CC=CC=C2
| PubChem CID | 98736 |
|---|---|
| CAS | 3314-35-0 |
| Molecular Weight (g/mol) | 161.208 |
| MDL Number | MFCD00051730 |
| SMILES | C1CN(N=C1N)C2=CC=CC=C2 |
| Synonym | 1-phenyl-4,5-dihydro-1h-pyrazol-3-amine,2-pyrazoline, 3-amino-1-phenyl,1-fenyl-3-aminopyrazolin,3-amino-1-phenyl-2-pyrazoline,1-phenyl-4,5-dihydro-1h-pyrazol-3-ylamine,3-amino-4,5-dihydro-1-phenylpyrazole,pyrazolidine, 3-imino-1-phenyl,4,5-dihydro-1-phenyl-1h-pyrazol-3-amine,3-amino-1-fenyl-2-pyrazolin,1-phenyl-3-amino-2-pyrazoline |
| IUPAC Name | 2-phenyl-3,4-dihydropyrazol-5-amine |
| InChI Key | QENUTIJJGGTTPE-UHFFFAOYSA-N |
| Molecular Formula | C9H11N3 |
Diethyl n-dodecylphosphonate, ≥97%, Thermo Scientific Chemicals
CAS: 4844-38-6 Molecular Formula: C16H35O3P Molecular Weight (g/mol): 306.427 MDL Number: MFCD00015595 InChI Key: LRIWHHSVZCKNJL-UHFFFAOYSA-N Synonym: diethyl dodecylphosphonate,phosphonic acid, dodecyl-, diethyl ester,diethyl 1-dodecyl phosphonate,phosphonic acid, p-dodecyl-, diethyl ester,dodecylphosphonic acid diethyl ester,phosphonic acid,p-dodecyl-, diethyl ester PubChem CID: 78558 IUPAC Name: 1-diethoxyphosphoryldodecane SMILES: CCCCCCCCCCCCP(=O)(OCC)OCC
| PubChem CID | 78558 |
|---|---|
| CAS | 4844-38-6 |
| Molecular Weight (g/mol) | 306.427 |
| MDL Number | MFCD00015595 |
| SMILES | CCCCCCCCCCCCP(=O)(OCC)OCC |
| Synonym | diethyl dodecylphosphonate,phosphonic acid, dodecyl-, diethyl ester,diethyl 1-dodecyl phosphonate,phosphonic acid, p-dodecyl-, diethyl ester,dodecylphosphonic acid diethyl ester,phosphonic acid,p-dodecyl-, diethyl ester |
| IUPAC Name | 1-diethoxyphosphoryldodecane |
| InChI Key | LRIWHHSVZCKNJL-UHFFFAOYSA-N |
| Molecular Formula | C16H35O3P |
2,2'-Azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt, 98%
CAS: 30931-67-0 Molecular Formula: C18H24N6O6S4 Molecular Weight (g/mol): 548.67 MDL Number: MFCD00010404,MFCD00010404 InChI Key: OHDRQQURAXLVGJ-AXMZSLBLSA-N Synonym: ammonium 2,2'-hydrazine-1,2-diylidene bis 3-ethyl-2,3-dihydrobenzo d thiazole-6-sulfonate PubChem CID: 91884754 IUPAC Name: diazanium;3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate SMILES: [NH4+].[NH4+].CCN1\C(SC2=CC(=CC=C12)S([O-])(=O)=O)=N\N=C1/SC2=CC(=CC=C2N1CC)S([O-])(=O)=O
| PubChem CID | 91884754 |
|---|---|
| CAS | 30931-67-0 |
| Molecular Weight (g/mol) | 548.67 |
| MDL Number | MFCD00010404,MFCD00010404 |
| SMILES | [NH4+].[NH4+].CCN1\C(SC2=CC(=CC=C12)S([O-])(=O)=O)=N\N=C1/SC2=CC(=CC=C2N1CC)S([O-])(=O)=O |
| Synonym | ammonium 2,2'-hydrazine-1,2-diylidene bis 3-ethyl-2,3-dihydrobenzo d thiazole-6-sulfonate |
| IUPAC Name | diazanium;3-ethyl-2-[(E)-(3-ethyl-6-sulfonato-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonate |
| InChI Key | OHDRQQURAXLVGJ-AXMZSLBLSA-N |
| Molecular Formula | C18H24N6O6S4 |
Succinic acid disodium salt, for biochemistry, anhydrous
CAS: 150-90-3 Molecular Formula: C4H4Na2O4 Molecular Weight (g/mol): 162.052 InChI Key: ZDQYSKICYIVCPN-UHFFFAOYSA-L Synonym: disodium succinate,sodium succinate,disodium butanedioate,butanedioic acid, disodium salt,soduxin,succinic acid disodium salt,jantaran sodny czech,unii-v8zgc8isr3,succinic acid, disodium salt,fema no. 3277 PubChem CID: 9020 ChEBI: CHEBI:63675 IUPAC Name: disodium;butanedioate SMILES: C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]
| PubChem CID | 9020 |
|---|---|
| CAS | 150-90-3 |
| Molecular Weight (g/mol) | 162.052 |
| ChEBI | CHEBI:63675 |
| SMILES | C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| Synonym | disodium succinate,sodium succinate,disodium butanedioate,butanedioic acid, disodium salt,soduxin,succinic acid disodium salt,jantaran sodny czech,unii-v8zgc8isr3,succinic acid, disodium salt,fema no. 3277 |
| IUPAC Name | disodium;butanedioate |
| InChI Key | ZDQYSKICYIVCPN-UHFFFAOYSA-L |
| Molecular Formula | C4H4Na2O4 |
tert-Butyldimethylsilyl trifluoromethanesulfonate, 98%
CAS: 69739-34-0 Molecular Formula: C7H15F3O3SSi Molecular Weight (g/mol): 264.33 MDL Number: MFCD00000405 InChI Key: WLLIXJBWWFGEHT-UHFFFAOYSA-N Synonym: tert-butyldimethylsilyl trifluoromethanesulfonate,trifluoromethanesulfonic acid tert-butyldimethylsilyl ester,tbdms triflate,t-butyldimethylsilyl triflate,tert-butyldimethylsilyl trifluoromethanesulphonate,tbdms-otf,tert-butyldimethylsilyl triflate,silane tbm2 triflate,t-butyldimethylsilyltrifluoromethanesulfonate,t-butylmethylsilyl triflate PubChem CID: 123564 IUPAC Name: [tert-butyl(dimethyl)silyl] trifluoromethanesulfonate SMILES: CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
| PubChem CID | 123564 |
|---|---|
| CAS | 69739-34-0 |
| Molecular Weight (g/mol) | 264.33 |
| MDL Number | MFCD00000405 |
| SMILES | CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F |
| Synonym | tert-butyldimethylsilyl trifluoromethanesulfonate,trifluoromethanesulfonic acid tert-butyldimethylsilyl ester,tbdms triflate,t-butyldimethylsilyl triflate,tert-butyldimethylsilyl trifluoromethanesulphonate,tbdms-otf,tert-butyldimethylsilyl triflate,silane tbm2 triflate,t-butyldimethylsilyltrifluoromethanesulfonate,t-butylmethylsilyl triflate |
| IUPAC Name | [tert-butyl(dimethyl)silyl] trifluoromethanesulfonate |
| InChI Key | WLLIXJBWWFGEHT-UHFFFAOYSA-N |
| Molecular Formula | C7H15F3O3SSi |
Ethyl decanoate, 99%
CAS: 110-38-3 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.322 MDL Number: MFCD00009581 InChI Key: RGXWDWUGBIJHDO-UHFFFAOYSA-N Synonym: ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo PubChem CID: 8048 ChEBI: CHEBI:87430 IUPAC Name: ethyl decanoate SMILES: CCCCCCCCCC(=O)OCC
| PubChem CID | 8048 |
|---|---|
| CAS | 110-38-3 |
| Molecular Weight (g/mol) | 200.322 |
| ChEBI | CHEBI:87430 |
| MDL Number | MFCD00009581 |
| SMILES | CCCCCCCCCC(=O)OCC |
| Synonym | ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo |
| IUPAC Name | ethyl decanoate |
| InChI Key | RGXWDWUGBIJHDO-UHFFFAOYSA-N |
| Molecular Formula | C12H24O2 |