Organic acids and derivatives























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3-Nitrobenzenesulfonic acid, sodium salt, 97%
CAS: 127-68-4 Molecular Formula: C6H4NNaO5S Molecular Weight (g/mol): 225.15 MDL Number: MFCD00007490 InChI Key: LJRGBERXYNQPJI-UHFFFAOYSA-M Synonym: sodium 3-nitrobenzenesulfonate,3-nitrobenzenesulfonic acid sodium salt,sodium 3-nitrobenzenesulphonate,sodium m-nitrobenzenesulfonate,nitrol s,tiskan czech,ludigol,ludigol f,60,benzenesulfonic acid, 3-nitro-, sodium salt,unii-1f11sxj4c6 PubChem CID: 31389 IUPAC Name: sodium;3-nitrobenzenesulfonate SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

PubChem CID | 31389 |
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CAS | 127-68-4 |
Molecular Weight (g/mol) | 225.15 |
MDL Number | MFCD00007490 |
SMILES | C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+] |
Synonym | sodium 3-nitrobenzenesulfonate,3-nitrobenzenesulfonic acid sodium salt,sodium 3-nitrobenzenesulphonate,sodium m-nitrobenzenesulfonate,nitrol s,tiskan czech,ludigol,ludigol f,60,benzenesulfonic acid, 3-nitro-, sodium salt,unii-1f11sxj4c6 |
IUPAC Name | sodium;3-nitrobenzenesulfonate |
InChI Key | LJRGBERXYNQPJI-UHFFFAOYSA-M |
Molecular Formula | C6H4NNaO5S |
Methyl 2-butynoate, 97%
CAS: 23326-27-4 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.1 MDL Number: MFCD00009273 InChI Key: UJQCANQILFWSDJ-UHFFFAOYSA-N Synonym: methyl 2-butynoate,methyl tetrolate,2-butynoic acid, methyl ester,2-butynoic acid methyl ester,tetrolic acid methyl ester,but-2-ynoic acid methyl ester,methyl2-butynoate,methyl 2-butynoate ?,pubchem12783,acmc-1ceil PubChem CID: 141019 IUPAC Name: methyl but-2-ynoate SMILES: CC#CC(=O)OC

PubChem CID | 141019 |
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CAS | 23326-27-4 |
Molecular Weight (g/mol) | 98.1 |
MDL Number | MFCD00009273 |
SMILES | CC#CC(=O)OC |
Synonym | methyl 2-butynoate,methyl tetrolate,2-butynoic acid, methyl ester,2-butynoic acid methyl ester,tetrolic acid methyl ester,but-2-ynoic acid methyl ester,methyl2-butynoate,methyl 2-butynoate ?,pubchem12783,acmc-1ceil |
IUPAC Name | methyl but-2-ynoate |
InChI Key | UJQCANQILFWSDJ-UHFFFAOYSA-N |
Molecular Formula | C5H6O2 |
Methyl (S)-(-)-lactate, 97%
CAS: 27871-49-4 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00064265 InChI Key: LPEKGGXMPWTOCB-VKHMYHEASA-N Synonym: methyl s---lactate,methyl l-lactate,s-methyl lactate,--methyl l-lactate,s-lactic acid methyl ester,methyl 2s-2-hydroxypropanoate,--methyl lactate,methyl s-2-hydroxypropionate,propanoic acid, 2-hydroxy-, methyl ester, 2s,--lactic acid methyl ester PubChem CID: 94386 ChEBI: CHEBI:83222 IUPAC Name: methyl (2S)-2-hydroxypropanoate SMILES: COC(=O)[C@H](C)O

PubChem CID | 94386 |
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CAS | 27871-49-4 |
Molecular Weight (g/mol) | 104.11 |
ChEBI | CHEBI:83222 |
MDL Number | MFCD00064265 |
SMILES | COC(=O)[C@H](C)O |
Synonym | methyl s---lactate,methyl l-lactate,s-methyl lactate,--methyl l-lactate,s-lactic acid methyl ester,methyl 2s-2-hydroxypropanoate,--methyl lactate,methyl s-2-hydroxypropionate,propanoic acid, 2-hydroxy-, methyl ester, 2s,--lactic acid methyl ester |
IUPAC Name | methyl (2S)-2-hydroxypropanoate |
InChI Key | LPEKGGXMPWTOCB-VKHMYHEASA-N |
Molecular Formula | C4H8O3 |
N-(2-Bromoethyl)phthalimide, 97%
CAS: 574-98-1 Molecular Formula: C10H8BrNO2 Molecular Weight (g/mol): 254.08 MDL Number: MFCD00005902 InChI Key: CHZXTOCAICMPQR-UHFFFAOYSA-N Synonym: n-2-bromoethyl phthalimide,2-2-bromoethyl isoindoline-1,3-dione,1h-isoindole-1,3 2h-dione, 2-2-bromoethyl,2-2-bromoethyl-1h-isoindole-1,3 2h-dione,beta-bromoethylphthalimide,2-bromoethyl phthalimide,1-bromo-2-phthalimidoethane,beta-phthalimidoethyl bromide,n-2-bromoethyl-phthalimide,2-2-bromo-ethyl-isoindole-1,3-dione PubChem CID: 11325 IUPAC Name: 2-(2-bromoethyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCBr

PubChem CID | 11325 |
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CAS | 574-98-1 |
Molecular Weight (g/mol) | 254.08 |
MDL Number | MFCD00005902 |
SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCBr |
Synonym | n-2-bromoethyl phthalimide,2-2-bromoethyl isoindoline-1,3-dione,1h-isoindole-1,3 2h-dione, 2-2-bromoethyl,2-2-bromoethyl-1h-isoindole-1,3 2h-dione,beta-bromoethylphthalimide,2-bromoethyl phthalimide,1-bromo-2-phthalimidoethane,beta-phthalimidoethyl bromide,n-2-bromoethyl-phthalimide,2-2-bromo-ethyl-isoindole-1,3-dione |
IUPAC Name | 2-(2-bromoethyl)isoindole-1,3-dione |
InChI Key | CHZXTOCAICMPQR-UHFFFAOYSA-N |
Molecular Formula | C10H8BrNO2 |
DL-alpha-Bromophenylacetic acid, 97%
CAS: 4870-65-9 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.04 InChI Key: WAKFRZBXTKUFIW-UHFFFAOYSA-N Synonym: alpha-bromophenylacetic acid,bromo phenyl acetic acid,.alpha.-bromophenylacetic acid,bromophenylacetic acid,bromo-phenyl-acetic acid,bromo-phenylacetic acid,dl-.alpha.-bromophenylacetic acid,benzeneacetic acid, .alpha.-bromo,phenylbromoacetic acid,bromo phenyl aceticacid PubChem CID: 97919 IUPAC Name: 2-bromo-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)Br

PubChem CID | 97919 |
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CAS | 4870-65-9 |
Molecular Weight (g/mol) | 215.04 |
SMILES | C1=CC=C(C=C1)C(C(=O)O)Br |
Synonym | alpha-bromophenylacetic acid,bromo phenyl acetic acid,.alpha.-bromophenylacetic acid,bromophenylacetic acid,bromo-phenyl-acetic acid,bromo-phenylacetic acid,dl-.alpha.-bromophenylacetic acid,benzeneacetic acid, .alpha.-bromo,phenylbromoacetic acid,bromo phenyl aceticacid |
IUPAC Name | 2-bromo-2-phenylacetic acid |
InChI Key | WAKFRZBXTKUFIW-UHFFFAOYSA-N |
Molecular Formula | C8H7BrO2 |
Cyclohexylacetic acid, 98+%
CAS: 5292-21-7 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00001518 InChI Key: LJOODBDWMQKMFB-UHFFFAOYSA-N Synonym: cyclohexylacetic acid,cyclohexaneacetic acid,cyclohexylethanoic acid,hexahydrophenylacetic acid,cyclohexyl acetic acid,unii-v43k3to0hn,fema no. 2347,cyclohexane-acetic acid,v43k3to0hn,cyclo-hexylacetic acid PubChem CID: 21363 ChEBI: CHEBI:37277 IUPAC Name: 2-cyclohexylacetic acid SMILES: OC(=O)CC1CCCCC1

PubChem CID | 21363 |
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CAS | 5292-21-7 |
Molecular Weight (g/mol) | 142.20 |
ChEBI | CHEBI:37277 |
MDL Number | MFCD00001518 |
SMILES | OC(=O)CC1CCCCC1 |
Synonym | cyclohexylacetic acid,cyclohexaneacetic acid,cyclohexylethanoic acid,hexahydrophenylacetic acid,cyclohexyl acetic acid,unii-v43k3to0hn,fema no. 2347,cyclohexane-acetic acid,v43k3to0hn,cyclo-hexylacetic acid |
IUPAC Name | 2-cyclohexylacetic acid |
InChI Key | LJOODBDWMQKMFB-UHFFFAOYSA-N |
Molecular Formula | C8H14O2 |
Ethyl pyruvate, 98%
CAS: 617-35-6 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 MDL Number: MFCD00009123 InChI Key: XXRCUYVCPSWGCC-UHFFFAOYSA-N Synonym: ethyl pyruvate,ethyl 2-oxopropionate,pyruvic acid, ethyl ester,propanoic acid, 2-oxo-, ethyl ester,pyruvic acid ethyl ester,ethyl pyroracemate,ethyl acetylformate,2-oxo-propionic acid ethyl ester,ethyl pyruvate natural,ethyl alpha-ketopropionate PubChem CID: 12041 IUPAC Name: ethyl 2-oxopropanoate SMILES: CCOC(=O)C(=O)C

PubChem CID | 12041 |
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CAS | 617-35-6 |
Molecular Weight (g/mol) | 116.12 |
MDL Number | MFCD00009123 |
SMILES | CCOC(=O)C(=O)C |
Synonym | ethyl pyruvate,ethyl 2-oxopropionate,pyruvic acid, ethyl ester,propanoic acid, 2-oxo-, ethyl ester,pyruvic acid ethyl ester,ethyl pyroracemate,ethyl acetylformate,2-oxo-propionic acid ethyl ester,ethyl pyruvate natural,ethyl alpha-ketopropionate |
IUPAC Name | ethyl 2-oxopropanoate |
InChI Key | XXRCUYVCPSWGCC-UHFFFAOYSA-N |
Molecular Formula | C5H8O3 |
Ethyl 4-bromocrotonate, 75%, tech.
CAS: 37746-78-4 Molecular Formula: C6H9BrO2 Molecular Weight (g/mol): 193.04 MDL Number: MFCD00000247 InChI Key: FHGRPBSDPBRTLS-ONEGZZNKSA-N Synonym: ethyl 4-bromocrotonate,e-ethyl 4-bromobut-2-enoate,ethyl 4-bromobut-2-enoate,4-bromocrotonic acid ethyl ester,ethyl 2e-4-bromobut-2-enoate,2-butenoic acid, 4-bromo-, ethyl ester, e,2-butenoic acid, 4-bromo-, ethyl ester,ethyl e-4-bromo-2-butenoate,ethyl e-4-bromobut-2-enoate,ethyl trans-4-bromo-2-butenoate PubChem CID: 5373944 IUPAC Name: ethyl (E)-4-bromobut-2-enoate SMILES: CCOC(=O)C=CCBr

PubChem CID | 5373944 |
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CAS | 37746-78-4 |
Molecular Weight (g/mol) | 193.04 |
MDL Number | MFCD00000247 |
SMILES | CCOC(=O)C=CCBr |
Synonym | ethyl 4-bromocrotonate,e-ethyl 4-bromobut-2-enoate,ethyl 4-bromobut-2-enoate,4-bromocrotonic acid ethyl ester,ethyl 2e-4-bromobut-2-enoate,2-butenoic acid, 4-bromo-, ethyl ester, e,2-butenoic acid, 4-bromo-, ethyl ester,ethyl e-4-bromo-2-butenoate,ethyl e-4-bromobut-2-enoate,ethyl trans-4-bromo-2-butenoate |
IUPAC Name | ethyl (E)-4-bromobut-2-enoate |
InChI Key | FHGRPBSDPBRTLS-ONEGZZNKSA-N |
Molecular Formula | C6H9BrO2 |
6-Ethoxy-2-naphthaleneboronic acid, 97%, Thermo Scientific™
CAS: 352525-98-5 Molecular Formula: C12H13BO3 Molecular Weight (g/mol): 216.04 MDL Number: MFCD03427009 InChI Key: INXXVGFSXYJGHI-UHFFFAOYSA-N Synonym: 6-ethoxy-2-naphthaleneboronic acid,6-ethoxynaphthalen-2-yl boronic acid,6-ethoxynaphthalene-2-boronic acid,boronic acid, 6-ethoxy-2-naphthalenyl,2-ethoxy-6-naphthaleneboronic acid,boronic acid, b-6-ethoxy-2-naphthalenyl,6-ethoxy-2-naphthalenyl-boronic acid,6-ethoxy-2,acmc-209ies,boronic acid,b-6-ethoxy-2-naphthalenyl PubChem CID: 4641693 IUPAC Name: (6-ethoxynaphthalen-2-yl)boronic acid SMILES: CCOC1=CC2=CC=C(C=C2C=C1)B(O)O

PubChem CID | 4641693 |
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CAS | 352525-98-5 |
Molecular Weight (g/mol) | 216.04 |
MDL Number | MFCD03427009 |
SMILES | CCOC1=CC2=CC=C(C=C2C=C1)B(O)O |
Synonym | 6-ethoxy-2-naphthaleneboronic acid,6-ethoxynaphthalen-2-yl boronic acid,6-ethoxynaphthalene-2-boronic acid,boronic acid, 6-ethoxy-2-naphthalenyl,2-ethoxy-6-naphthaleneboronic acid,boronic acid, b-6-ethoxy-2-naphthalenyl,6-ethoxy-2-naphthalenyl-boronic acid,6-ethoxy-2,acmc-209ies,boronic acid,b-6-ethoxy-2-naphthalenyl |
IUPAC Name | (6-ethoxynaphthalen-2-yl)boronic acid |
InChI Key | INXXVGFSXYJGHI-UHFFFAOYSA-N |
Molecular Formula | C12H13BO3 |
Methyl 6-chloropyridazine-4-carboxylate, 97%
CAS: 1093860-48-0 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.57 MDL Number: MFCD16660968 InChI Key: QYQHGLKSLGUINZ-UHFFFAOYSA-N Synonym: 6-chloro-pyridazine-4-carboxylic acid methyl ester,methyl6-chloropyridazine-4-carboxylate,4-pyridazinecarboxylicacid, 6-chloro-, methyl ester,6-chloro-4-pyridazinecarboxylic acid, methyl ester,4-pyridazinecarboxylic acid, 6-chloro-, methyl ester PubChem CID: 45790080 IUPAC Name: methyl 6-chloropyridazine-4-carboxylate SMILES: COC(=O)C1=CC(Cl)=NN=C1

PubChem CID | 45790080 |
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CAS | 1093860-48-0 |
Molecular Weight (g/mol) | 172.57 |
MDL Number | MFCD16660968 |
SMILES | COC(=O)C1=CC(Cl)=NN=C1 |
Synonym | 6-chloro-pyridazine-4-carboxylic acid methyl ester,methyl6-chloropyridazine-4-carboxylate,4-pyridazinecarboxylicacid, 6-chloro-, methyl ester,6-chloro-4-pyridazinecarboxylic acid, methyl ester,4-pyridazinecarboxylic acid, 6-chloro-, methyl ester |
IUPAC Name | methyl 6-chloropyridazine-4-carboxylate |
InChI Key | QYQHGLKSLGUINZ-UHFFFAOYSA-N |
Molecular Formula | C6H5ClN2O2 |
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 97%, Thermo Scientific™
CAS: 378211-85-9 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.14 MDL Number: MFCD00297221 InChI Key: DZPAOAZDQHZRGG-UHFFFAOYSA-N Synonym: pyrazolo 1,5-a pyrimidine-2-carboxylic acid,8-hydropyrazolo 1,5-a pyrimidine-2-carboxylic acid,2-pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylicacid,acmc-1afu0,pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1?5-a pyrimidine-2-carboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylic acid 9ci,2-methyl-3-2-trimethylsilyl ethoxy methyl-3h-imidazo 4,5-b pyridin-6-yl boronic acid PubChem CID: 670824 IUPAC Name: pyrazolo[1,5-a]pyrimidine-2-carboxylic acid SMILES: C1=CN2C(=CC(=N2)C(=O)O)N=C1

PubChem CID | 670824 |
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CAS | 378211-85-9 |
Molecular Weight (g/mol) | 163.14 |
MDL Number | MFCD00297221 |
SMILES | C1=CN2C(=CC(=N2)C(=O)O)N=C1 |
Synonym | pyrazolo 1,5-a pyrimidine-2-carboxylic acid,8-hydropyrazolo 1,5-a pyrimidine-2-carboxylic acid,2-pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylicacid,acmc-1afu0,pyrazolo 1,5-a pyrimidinecarboxylic acid,pyrazolo 1?5-a pyrimidine-2-carboxylic acid,pyrazolo 1,5-a pyrimidine-2-carboxylic acid 9ci,2-methyl-3-2-trimethylsilyl ethoxy methyl-3h-imidazo 4,5-b pyridin-6-yl boronic acid |
IUPAC Name | pyrazolo[1,5-a]pyrimidine-2-carboxylic acid |
InChI Key | DZPAOAZDQHZRGG-UHFFFAOYSA-N |
Molecular Formula | C7H5N3O2 |
4-(Tetrazol-5-yl)phenylboronic acid, 97%
CAS: 179942-55-3 Molecular Formula: C7H7BN4O2 Molecular Weight (g/mol): 189.97 MDL Number: MFCD06739099 MFCD11044435 InChI Key: DXUPJOQUAAVAGV-UHFFFAOYSA-N Synonym: 4-2h-tetrazol-5-yl phenyl boronic acid,4-2h-tetrazol-5-yl phenylboronic acid,4-tetrazol-5-yl phenylboronic acid,4-2h-tetrazol-5-yl-phenylboronic acid,4-1h-tetrazol-5-yl-phenylboronic acid,4-2h-1,2,3,4-tetrazol-5-yl phenyl boronic acid,4-1h-1,2,3,4-tetrazol-5-yl phenylboronic acid,4-2h-1,2,3,4-tetrazol-5-yl phenylboronic acid,4-1htetrazol-5-yl phenylboronic acid PubChem CID: 46737995 IUPAC Name: [4-(2H-tetrazol-5-yl)phenyl]boronic acid SMILES: OB(O)C1=CC=C(C=C1)C1=NNN=N1

PubChem CID | 46737995 |
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CAS | 179942-55-3 |
Molecular Weight (g/mol) | 189.97 |
MDL Number | MFCD06739099 MFCD11044435 |
SMILES | OB(O)C1=CC=C(C=C1)C1=NNN=N1 |
Synonym | 4-2h-tetrazol-5-yl phenyl boronic acid,4-2h-tetrazol-5-yl phenylboronic acid,4-tetrazol-5-yl phenylboronic acid,4-2h-tetrazol-5-yl-phenylboronic acid,4-1h-tetrazol-5-yl-phenylboronic acid,4-2h-1,2,3,4-tetrazol-5-yl phenyl boronic acid,4-1h-1,2,3,4-tetrazol-5-yl phenylboronic acid,4-2h-1,2,3,4-tetrazol-5-yl phenylboronic acid,4-1htetrazol-5-yl phenylboronic acid |
IUPAC Name | [4-(2H-tetrazol-5-yl)phenyl]boronic acid |
InChI Key | DXUPJOQUAAVAGV-UHFFFAOYSA-N |
Molecular Formula | C7H7BN4O2 |
Sodium formate, ACS reagent
CAS: 141-53-7 Molecular Formula: CHNaO2 Molecular Weight (g/mol): 68.01 InChI Key: HLBBKKJFGFRGMU-UHFFFAOYSA-M Synonym: sodium formate,formic acid, sodium salt,salachlor,formic acid sodium salt,formic acid, na salt,sodium formate, refined,sodium formiate,mravencan sodny czech,ccris 1037,hsdb 744 PubChem CID: 2723810 ChEBI: CHEBI:62965 IUPAC Name: sodium;formate SMILES: C(=O)[O-].[Na+]

PubChem CID | 2723810 |
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CAS | 141-53-7 |
Molecular Weight (g/mol) | 68.01 |
ChEBI | CHEBI:62965 |
SMILES | C(=O)[O-].[Na+] |
Synonym | sodium formate,formic acid, sodium salt,salachlor,formic acid sodium salt,formic acid, na salt,sodium formate, refined,sodium formiate,mravencan sodny czech,ccris 1037,hsdb 744 |
IUPAC Name | sodium;formate |
InChI Key | HLBBKKJFGFRGMU-UHFFFAOYSA-M |
Molecular Formula | CHNaO2 |
5-Pyrimidinylboronic acid, 97%, may contain varying amounts of anhydride, Thermo Scientific Chemicals
CAS: 109299-78-7 Molecular Formula: C4H5BN2O2 Molecular Weight (g/mol): 123.91 MDL Number: MFCD03002366 InChI Key: HZFPPBMKGYINDF-UHFFFAOYSA-N Synonym: 5-pyrimidinylboronic acid,pyrimidine-5-boronic acid,5-pyrimidineboronic acid,5-pyrimidylboronic acid,pyrimidin-5-yl boronic acid,5-pyrimidine boronic acid,pyrimidinyl-5-boronic acid,pyrimidine-5-ylboronic acid,pyrimidin-5-yl-5-boronic acid,pyrimidin-5-boronic acid PubChem CID: 2795193 IUPAC Name: pyrimidin-5-ylboronic acid SMILES: OB(O)C1=CN=CN=C1

PubChem CID | 2795193 |
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CAS | 109299-78-7 |
Molecular Weight (g/mol) | 123.91 |
MDL Number | MFCD03002366 |
SMILES | OB(O)C1=CN=CN=C1 |
Synonym | 5-pyrimidinylboronic acid,pyrimidine-5-boronic acid,5-pyrimidineboronic acid,5-pyrimidylboronic acid,pyrimidin-5-yl boronic acid,5-pyrimidine boronic acid,pyrimidinyl-5-boronic acid,pyrimidine-5-ylboronic acid,pyrimidin-5-yl-5-boronic acid,pyrimidin-5-boronic acid |
IUPAC Name | pyrimidin-5-ylboronic acid |
InChI Key | HZFPPBMKGYINDF-UHFFFAOYSA-N |
Molecular Formula | C4H5BN2O2 |
Ammonium Citrate Solution, USP <251> for Lead, Ricca Chemical
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CAS: 77-92-9 Synonym: dihydrogen oxide,dihydrogen monoxide

CAS | 77-92-9 |
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Synonym | dihydrogen oxide,dihydrogen monoxide |