Organic acids and derivatives
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2-Chloroethylphosphonic acid, 90%, Tech.
CAS: 16672-87-0 Molecular Formula: C2H6ClO3P Molecular Weight (g/mol): 144.49 MDL Number: MFCD00002142 InChI Key: UDPGUMQDCGORJQ-UHFFFAOYSA-N Synonym: ethephon,2-chloroethyl phosphonic acid,ethrel,chlorethephon,bromeflor,camposan,2-cepa,phosphonic acid, 2-chloroethyl,2-chloroethanephosphonic acid,etheverse PubChem CID: 27982 ChEBI: CHEBI:52741 IUPAC Name: 2-chloroethylphosphonic acid SMILES: OP(O)(=O)CCCl
| PubChem CID | 27982 |
|---|---|
| CAS | 16672-87-0 |
| Molecular Weight (g/mol) | 144.49 |
| ChEBI | CHEBI:52741 |
| MDL Number | MFCD00002142 |
| SMILES | OP(O)(=O)CCCl |
| Synonym | ethephon,2-chloroethyl phosphonic acid,ethrel,chlorethephon,bromeflor,camposan,2-cepa,phosphonic acid, 2-chloroethyl,2-chloroethanephosphonic acid,etheverse |
| IUPAC Name | 2-chloroethylphosphonic acid |
| InChI Key | UDPGUMQDCGORJQ-UHFFFAOYSA-N |
| Molecular Formula | C2H6ClO3P |
n-Butyl lactate, 99%
CAS: 138-22-7 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00004519 InChI Key: MRABAEUHTLLEML-UHFFFAOYNA-N Synonym: butyl lactate,n-butyl lactate,lactic acid, butyl ester,propanoic acid, 2-hydroxy-, butyl ester,butyllactate,2-hydroxypropanoic acid butyl ester,butylester kyseliny mlecne,butyl alpha-hydroxypropionate,butyl lactate natural,fema no. 2205 PubChem CID: 8738 IUPAC Name: butyl 2-hydroxypropanoate SMILES: CCCCOC(=O)C(C)O
| PubChem CID | 8738 |
|---|---|
| CAS | 138-22-7 |
| Molecular Weight (g/mol) | 146.19 |
| MDL Number | MFCD00004519 |
| SMILES | CCCCOC(=O)C(C)O |
| Synonym | butyl lactate,n-butyl lactate,lactic acid, butyl ester,propanoic acid, 2-hydroxy-, butyl ester,butyllactate,2-hydroxypropanoic acid butyl ester,butylester kyseliny mlecne,butyl alpha-hydroxypropionate,butyl lactate natural,fema no. 2205 |
| IUPAC Name | butyl 2-hydroxypropanoate |
| InChI Key | MRABAEUHTLLEML-UHFFFAOYNA-N |
| Molecular Formula | C7H14O3 |
tert-Butyl chloroacetate, 97%
CAS: 107-59-5 Molecular Formula: C6H11ClO2 Molecular Weight (g/mol): 150 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 |
| 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 |
Methyl 4-aminobenzoate, 98%
CAS: 619-45-4 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00007891 InChI Key: LZXXNPOYQCLXRS-UHFFFAOYSA-N Synonym: 4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester PubChem CID: 12082 IUPAC Name: methyl 4-aminobenzoate SMILES: COC(=O)C1=CC=C(C=C1)N
| PubChem CID | 12082 |
|---|---|
| CAS | 619-45-4 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00007891 |
| SMILES | COC(=O)C1=CC=C(C=C1)N |
| Synonym | 4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester |
| IUPAC Name | methyl 4-aminobenzoate |
| InChI Key | LZXXNPOYQCLXRS-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Dimethyl oxalate, 99%
CAS: 553-90-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00008442 InChI Key: LOMVENUNSWAXEN-UHFFFAOYSA-N Synonym: methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid PubChem CID: 11120 ChEBI: CHEBI:6859 IUPAC Name: dimethyl oxalate SMILES: COC(=O)C(=O)OC
| PubChem CID | 11120 |
|---|---|
| CAS | 553-90-2 |
| Molecular Weight (g/mol) | 118.09 |
| ChEBI | CHEBI:6859 |
| MDL Number | MFCD00008442 |
| SMILES | COC(=O)C(=O)OC |
| Synonym | methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid |
| IUPAC Name | dimethyl oxalate |
| InChI Key | LOMVENUNSWAXEN-UHFFFAOYSA-N |
| Molecular Formula | C4H6O4 |
Diethyl bis(hydroxymethyl)malonate, 95%
CAS: 20605-01-0 Molecular Formula: C9H16O6 Molecular Weight (g/mol): 220.22 MDL Number: MFCD00009130 InChI Key: WIOHBOKEUIHYIC-UHFFFAOYSA-N Synonym: diethyl bis hydroxymethyl malonate,diethyl 2,2-bis hydroxymethyl malonate,propanedioic acid, bis hydroxymethyl-, diethyl ester,1,3-diethyl 2,2-bis hydroxymethyl propanedioate,diethyl 2,2-bis hydroxymethyl propanedioate,2,2-bis hydroxymethyl malonic acid diethyl ester,bis hydroxymethyl malonic acid diethyl ester,diethyl 2,2-bis hydroxymethyl propane-1,3-dioate,acmc-20al8x,ksc490a8h PubChem CID: 311844 IUPAC Name: diethyl 2,2-bis(hydroxymethyl)propanedioate SMILES: CCOC(=O)C(CO)(CO)C(=O)OCC
| PubChem CID | 311844 |
|---|---|
| CAS | 20605-01-0 |
| Molecular Weight (g/mol) | 220.22 |
| MDL Number | MFCD00009130 |
| SMILES | CCOC(=O)C(CO)(CO)C(=O)OCC |
| Synonym | diethyl bis hydroxymethyl malonate,diethyl 2,2-bis hydroxymethyl malonate,propanedioic acid, bis hydroxymethyl-, diethyl ester,1,3-diethyl 2,2-bis hydroxymethyl propanedioate,diethyl 2,2-bis hydroxymethyl propanedioate,2,2-bis hydroxymethyl malonic acid diethyl ester,bis hydroxymethyl malonic acid diethyl ester,diethyl 2,2-bis hydroxymethyl propane-1,3-dioate,acmc-20al8x,ksc490a8h |
| IUPAC Name | diethyl 2,2-bis(hydroxymethyl)propanedioate |
| InChI Key | WIOHBOKEUIHYIC-UHFFFAOYSA-N |
| Molecular Formula | C9H16O6 |
Dibutylboron trifluoromethanesulfonate, 1M sol. in dichloromethane
CAS: 60669-69-4 | C9H18BF3O3S | 274.11 g/mol
| Linear Formula | CF3SO3B[(CH2)3CH3]2 |
|---|---|
| Molecular Weight (g/mol) | 274.11 |
| Color | Orange to Yellow |
| Physical Form | Solution |
| Chemical Name or Material | Dibutylboron trifluoromethanesulfonate |
| SMILES | CCCCB(CCCC)OS(=O)(=O)C(F)(F)F |
| InChI Key | FAVAVMFXAKZTMV-UHFFFAOYSA-N |
| Density | 1.2710g/mL |
| Assay Percent Range | 98% |
| PubChem CID | 2724243 |
| Fieser | 07,91; 09,140; 16,109 |
| CAS | 75-09-2 |
| Health Hazard 3 | GHS P Statement Keep away from heat/sparks/open flames/hot surfaces. - No smoking. Wear protective gloves/protective clothing/eye protection/face protection. IF SWALLOWED: rinse mouth. Do NOT induce vomiting. IF IN EYES: Rinse |
| MDL Number | MFCD00009669 |
| Health Hazard 2 | GHS H Statement Flammable liquid and vapour. Suspected of causing cancer. Causes severe skin burns and eye damage. May cause drowsiness or dizziness. |
| Solubility Information | Solubility in water: reacts. |
| Packaging | Glass Bottle |
| Flash Point | 27°C |
| Health Hazard 1 | GHS Signal Word: Danger |
| Synonym | dibutylboron trifluoromethanesulfonate,dibutylboryl trifluoromethanesulfonate solution,nbu2botf,bu2botf,dibutylboron triflate,n-bu 2botf,dibutylboryl trifluoromethanesulfonate,dibutylboron triflate solution,trifluoromethylsulfonyloxy dibutylborane,dibutyl trifluoromethyl sulfonyl oxy borane |
| IUPAC Name | dibutylboranyl trifluoromethanesulfonate |
| Molecular Formula | C9H18BF3O3S |
| Formula Weight | 274.11 |
| Specific Gravity | 1.271 |
4-Hydroxybenzoic acid, sodium salt, 98%
CAS: 114-63-6 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.10 MDL Number: MFCD00016530 InChI Key: ZLVSYODPTJZFMK-UHFFFAOYSA-M Synonym: sodium 4-hydroxybenzoate,sodium p-hydroxybenzoate,4-hydroxybenzoic acid sodium salt,sodium paraben,benzoic acid, 4-hydroxy-, monosodium salt,p-hydroxybenzoic acid sodium salt,monosodium p-hydroxybenzoate,monosodium 4-hydroxybenzoate,benzoic acid, p-hydroxy-, sodium salt,benzoic acid, 4-hydroxy-, sodium salt 1:1 PubChem CID: 16219477 IUPAC Name: sodium;4-hydroxybenzoate SMILES: [Na+].OC1=CC=C(C=C1)C([O-])=O
| PubChem CID | 16219477 |
|---|---|
| CAS | 114-63-6 |
| Molecular Weight (g/mol) | 160.10 |
| MDL Number | MFCD00016530 |
| SMILES | [Na+].OC1=CC=C(C=C1)C([O-])=O |
| Synonym | sodium 4-hydroxybenzoate,sodium p-hydroxybenzoate,4-hydroxybenzoic acid sodium salt,sodium paraben,benzoic acid, 4-hydroxy-, monosodium salt,p-hydroxybenzoic acid sodium salt,monosodium p-hydroxybenzoate,monosodium 4-hydroxybenzoate,benzoic acid, p-hydroxy-, sodium salt,benzoic acid, 4-hydroxy-, sodium salt 1:1 |
| IUPAC Name | sodium;4-hydroxybenzoate |
| InChI Key | ZLVSYODPTJZFMK-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO3 |
Methyl 3-aminobenzoate, 98%
CAS: 4518-10-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.16 MDL Number: MFCD00017102 InChI Key: VZDNXXPBYLGWOS-UHFFFAOYSA-N
| CAS | 4518-10-9 |
|---|---|
| Molecular Weight (g/mol) | 151.16 |
| MDL Number | MFCD00017102 |
| InChI Key | VZDNXXPBYLGWOS-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
2-(3-Bromopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 97%
CAS: 124215-44-7 Molecular Formula: C9H18BBrO2 Molecular Weight (g/mol): 248.96 MDL Number: MFCD10567053 InChI Key: CHQXFJUKMDJWHO-UHFFFAOYSA-N Synonym: 2-3-bromopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-bromopropylboronic acid pinacol ester,1,3,2-dioxaborolane,2-3-bromopropyl-4,4,5,5-tetramethyl,acmc-1c5j4,3-bromopropylboronic acid, pinacol ester,2-3-bromopropyl-4?4?5?5-tetramethyl-1?3?2-dioxaborolane PubChem CID: 14836669 IUPAC Name: 2-(3-bromopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(CCCBr)OC1(C)C
| PubChem CID | 14836669 |
|---|---|
| CAS | 124215-44-7 |
| Molecular Weight (g/mol) | 248.96 |
| MDL Number | MFCD10567053 |
| SMILES | CC1(C)OB(CCCBr)OC1(C)C |
| Synonym | 2-3-bromopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,3-bromopropylboronic acid pinacol ester,1,3,2-dioxaborolane,2-3-bromopropyl-4,4,5,5-tetramethyl,acmc-1c5j4,3-bromopropylboronic acid, pinacol ester,2-3-bromopropyl-4?4?5?5-tetramethyl-1?3?2-dioxaborolane |
| IUPAC Name | 2-(3-bromopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | CHQXFJUKMDJWHO-UHFFFAOYSA-N |
| Molecular Formula | C9H18BBrO2 |
Chloromethylphosphonic acid, 98%, Thermo Scientific Chemicals
CAS: 2565-58-4 Molecular Formula: CH4ClO3P Molecular Weight (g/mol): 130.46 MDL Number: MFCD00013955 InChI Key: MOFCYHDQWIZKMY-UHFFFAOYSA-N Synonym: chloromethyl phosphonic acid,phosphonic acid, chloromethyl,chloromethanephosphonic acid,phosphonic acid, p-chloromethyl,monochloromethyl phosphonic acid,chloromethylphosphite,phosphonomethyl chloride,chloromethyl-phosphonicaci,phosphonic acid,p-chloromethyl,chloromethyl phosphonic acid, 98 % PubChem CID: 75723 IUPAC Name: chloromethylphosphonic acid SMILES: OP(O)(=O)CCl
| PubChem CID | 75723 |
|---|---|
| CAS | 2565-58-4 |
| Molecular Weight (g/mol) | 130.46 |
| MDL Number | MFCD00013955 |
| SMILES | OP(O)(=O)CCl |
| Synonym | chloromethyl phosphonic acid,phosphonic acid, chloromethyl,chloromethanephosphonic acid,phosphonic acid, p-chloromethyl,monochloromethyl phosphonic acid,chloromethylphosphite,phosphonomethyl chloride,chloromethyl-phosphonicaci,phosphonic acid,p-chloromethyl,chloromethyl phosphonic acid, 98 % |
| IUPAC Name | chloromethylphosphonic acid |
| InChI Key | MOFCYHDQWIZKMY-UHFFFAOYSA-N |
| Molecular Formula | CH4ClO3P |
Mycophenolate mofetil, 98%
CAS: 128794-94-5 Molecular Formula: C23H31NO7 Molecular Weight (g/mol): 433.5 InChI Key: RTGDFNSFWBGLEC-SYZQJQIISA-N Synonym: mycophenolate mofetil,cellcept,munoloc,myfenax,mycophenolic acid morpholinoethyl ester,tm-mmf,mycophenylate mofetil,mycophenolatemofetil,cellcept tn,unii-9242ecw6r0 PubChem CID: 5281078 ChEBI: CHEBI:8764 IUPAC Name: 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate SMILES: CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC
| PubChem CID | 5281078 |
|---|---|
| CAS | 128794-94-5 |
| Molecular Weight (g/mol) | 433.5 |
| ChEBI | CHEBI:8764 |
| SMILES | CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC |
| Synonym | mycophenolate mofetil,cellcept,munoloc,myfenax,mycophenolic acid morpholinoethyl ester,tm-mmf,mycophenylate mofetil,mycophenolatemofetil,cellcept tn,unii-9242ecw6r0 |
| IUPAC Name | 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate |
| InChI Key | RTGDFNSFWBGLEC-SYZQJQIISA-N |
| Molecular Formula | C23H31NO7 |
Ethylboronic acid, 95%
CAS: 4433-63-0 Molecular Formula: C2H7BO2 Molecular Weight (g/mol): 73.89 MDL Number: MFCD01074536 InChI Key: PAVZHTXVORCEHP-UHFFFAOYSA-N Synonym: boronic acid, ethyl,ethaneboronic acid,ethyldihydroxyborane,ethyl boronic acid,boronic acid, ethyl-9ci,ethylboronicacid,pubchem7960,ethylboric acid,etb oh 2 PubChem CID: 521157 IUPAC Name: ethylboronic acid SMILES: CCB(O)O
| PubChem CID | 521157 |
|---|---|
| CAS | 4433-63-0 |
| Molecular Weight (g/mol) | 73.89 |
| MDL Number | MFCD01074536 |
| SMILES | CCB(O)O |
| Synonym | boronic acid, ethyl,ethaneboronic acid,ethyldihydroxyborane,ethyl boronic acid,boronic acid, ethyl-9ci,ethylboronicacid,pubchem7960,ethylboric acid,etb oh 2 |
| IUPAC Name | ethylboronic acid |
| InChI Key | PAVZHTXVORCEHP-UHFFFAOYSA-N |
| Molecular Formula | C2H7BO2 |
1-Butanesulfonic acid, sodium salt, 99+%, Ion pair chromatography, anhydrous
CAS: 2386-54-1 Molecular Formula: C4H9NaO3S Molecular Weight (g/mol): 160.16 MDL Number: MFCD00007540 InChI Key: XQCHMGAOAWZUPI-UHFFFAOYSA-M Synonym: sodium 1-butanesulfonate,sodium butane-1-sulfonate,1-butanesulfonic acid sodium salt,sodium butylsulfonate,1-butanesulfonic acid, sodium salt,sodium butane-1-sulphonate,sodium butanesulfonate,ipc-alks-4,1-butanesulfonic acid, sodium salt 1:1,acmc-1cdot PubChem CID: 4096517 IUPAC Name: sodium;butane-1-sulfonate SMILES: [Na+].CCCCS([O-])(=O)=O
| PubChem CID | 4096517 |
|---|---|
| CAS | 2386-54-1 |
| Molecular Weight (g/mol) | 160.16 |
| MDL Number | MFCD00007540 |
| SMILES | [Na+].CCCCS([O-])(=O)=O |
| Synonym | sodium 1-butanesulfonate,sodium butane-1-sulfonate,1-butanesulfonic acid sodium salt,sodium butylsulfonate,1-butanesulfonic acid, sodium salt,sodium butane-1-sulphonate,sodium butanesulfonate,ipc-alks-4,1-butanesulfonic acid, sodium salt 1:1,acmc-1cdot |
| IUPAC Name | sodium;butane-1-sulfonate |
| InChI Key | XQCHMGAOAWZUPI-UHFFFAOYSA-M |
| Molecular Formula | C4H9NaO3S |
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 |