Organic acids and derivatives
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1-Octylphosphonic acid, 98%
CAS: 4724-48-5 Molecular Formula: C8H19O3P Molecular Weight (g/mol): 194.211 MDL Number: MFCD00015841 InChI Key: NJGCRMAPOWGWMW-UHFFFAOYSA-N Synonym: n-octylphosphonic acid,1-octylphosphonic acid,phosphonic acid, octyl,phosphonic acid, p-octyl,unii-95c2aw87bo,octylphosphonicacid,acmc-209uni,p-octyl-phosphonic acid,octylphosphonic acid,dsstox_cid_24679 PubChem CID: 78452 IUPAC Name: octylphosphonic acid SMILES: CCCCCCCCP(=O)(O)O
| PubChem CID | 78452 |
|---|---|
| CAS | 4724-48-5 |
| Molecular Weight (g/mol) | 194.211 |
| MDL Number | MFCD00015841 |
| SMILES | CCCCCCCCP(=O)(O)O |
| Synonym | n-octylphosphonic acid,1-octylphosphonic acid,phosphonic acid, octyl,phosphonic acid, p-octyl,unii-95c2aw87bo,octylphosphonicacid,acmc-209uni,p-octyl-phosphonic acid,octylphosphonic acid,dsstox_cid_24679 |
| IUPAC Name | octylphosphonic acid |
| InChI Key | NJGCRMAPOWGWMW-UHFFFAOYSA-N |
| Molecular Formula | C8H19O3P |
Methyl Sulfone, Crystal, Spectrum™ Chemical
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CAS: 67-71-0
| CAS | 67-71-0 |
|---|
MilliporeSigma™ 2',7'-Dichlorofluorescin Diacetate, Calbiochem™,
CAS: 4091-99-0 Molecular Formula: C24H16Cl2O7 Molecular Weight (g/mol): 487.285 InChI Key: PXEZTIWVRVSYOK-UHFFFAOYSA-N Synonym: h2dcfda,2-3,6-diacetoxy-2,7-dichloro-9h-xanthen-9-yl benzoic acid,2',7'-dichlorohydrofluorescein diacetate,2,7-dichlorodihydrofluorescein diacetate,benzoic acid, 2-3,6-bis acetyloxy-2,7-dichloro-9h-xanthen-9-yl,2-3,6-bis acetyloxy-2,7-dichloro-9h-xanthen-9-yl benzoic acid,2′,7′-dichlorofluorescin diacetate,2′,7′-dichlorodihydrofluorescein diacetate,2-3,6-diacetyloxy-2,7-dichloro-9h-xanthen-9-yl benzoic acid PubChem CID: 77718 IUPAC Name: 2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid SMILES: CC(=O)OC1=C(C=C2C(C3=CC(=C(C=C3OC2=C1)OC(=O)C)Cl)C4=CC=CC=C4C(=O)O)Cl
| PubChem CID | 77718 |
|---|---|
| CAS | 4091-99-0 |
| Molecular Weight (g/mol) | 487.285 |
| SMILES | CC(=O)OC1=C(C=C2C(C3=CC(=C(C=C3OC2=C1)OC(=O)C)Cl)C4=CC=CC=C4C(=O)O)Cl |
| Synonym | h2dcfda,2-3,6-diacetoxy-2,7-dichloro-9h-xanthen-9-yl benzoic acid,2',7'-dichlorohydrofluorescein diacetate,2,7-dichlorodihydrofluorescein diacetate,benzoic acid, 2-3,6-bis acetyloxy-2,7-dichloro-9h-xanthen-9-yl,2-3,6-bis acetyloxy-2,7-dichloro-9h-xanthen-9-yl benzoic acid,2′,7′-dichlorofluorescin diacetate,2′,7′-dichlorodihydrofluorescein diacetate,2-3,6-diacetyloxy-2,7-dichloro-9h-xanthen-9-yl benzoic acid |
| IUPAC Name | 2-(3,6-diacetyloxy-2,7-dichloro-9H-xanthen-9-yl)benzoic acid |
| InChI Key | PXEZTIWVRVSYOK-UHFFFAOYSA-N |
| Molecular Formula | C24H16Cl2O7 |
N,N-Dimethylformamide di-tert-butyl acetal, ≥90.0%, MilliporeSigma™ Supelco™
MDL Number: MFCD00015002 Synonym: 1,1-Di-tert-butoxy-N,N-dimethylmethylamine; 1,1-Di-tert-butoxytrimethylamine
| MDL Number | MFCD00015002 |
|---|---|
| Synonym | 1,1-Di-tert-butoxy-N,N-dimethylmethylamine; 1,1-Di-tert-butoxytrimethylamine |
DL-Ethyl 2-bromopropionate, 99%
CAS: 535-11-5 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00000144 InChI Key: ARFLASKVLJTEJD-UHFFFAOYNA-N Synonym: ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate PubChem CID: 79040 IUPAC Name: ethyl 2-bromopropanoate SMILES: CCOC(=O)C(C)Br
| PubChem CID | 79040 |
|---|---|
| CAS | 535-11-5 |
| Molecular Weight (g/mol) | 181.03 |
| MDL Number | MFCD00000144 |
| SMILES | CCOC(=O)C(C)Br |
| Synonym | ethyl 2-bromopropionate,ethyl alpha-bromopropionate,ethyl-2-bromopropionate,2-bromopropanoic acid ethyl ester,propanoic acid, 2-bromo-, ethyl ester,alpha-bromopropionic acid ethyl ester,ethyl a-bromopropionate,dl-ethyl 2-bromopropionate,2-bromopropionic acid ethyl ester,ethyl alpha-bromopropanoate |
| IUPAC Name | ethyl 2-bromopropanoate |
| InChI Key | ARFLASKVLJTEJD-UHFFFAOYNA-N |
| Molecular Formula | C5H9BrO2 |
4-(Boc-aminomethyl)benzeneboronic acid, 95%
CAS: 489446-42-6 Molecular Formula: C12H18BNO4 Molecular Weight (g/mol): 251.09 MDL Number: MFCD04115637 InChI Key: MUBGEKQUCSEECZ-UHFFFAOYSA-N Synonym: 4-n-boc-aminomethyl phenylboronic acid,4-n-boc-amino methyl phenylboronic acid,4-tert-butoxycarbonyl amino methyl phenyl boronic acid,4-n-boc aminomethylphenylboronic acid,4-tert-butoxycarbonylaminomethyl phenylboronic acid,4-2-methylpropan-2-yl oxycarbonylamino methyl phenyl boronic acid,4-boc-aminomethyl benzeneboronic acid,4-aminomethyl benzeneboronic acid, n-boc protected,4-tert-butoxycarbonylamino methyl phenylboronic acid PubChem CID: 3863163 IUPAC Name: [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)B(O)O
| PubChem CID | 3863163 |
|---|---|
| CAS | 489446-42-6 |
| Molecular Weight (g/mol) | 251.09 |
| MDL Number | MFCD04115637 |
| SMILES | CC(C)(C)OC(=O)NCC1=CC=C(C=C1)B(O)O |
| Synonym | 4-n-boc-aminomethyl phenylboronic acid,4-n-boc-amino methyl phenylboronic acid,4-tert-butoxycarbonyl amino methyl phenyl boronic acid,4-n-boc aminomethylphenylboronic acid,4-tert-butoxycarbonylaminomethyl phenylboronic acid,4-2-methylpropan-2-yl oxycarbonylamino methyl phenyl boronic acid,4-boc-aminomethyl benzeneboronic acid,4-aminomethyl benzeneboronic acid, n-boc protected,4-tert-butoxycarbonylamino methyl phenylboronic acid |
| IUPAC Name | [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid |
| InChI Key | MUBGEKQUCSEECZ-UHFFFAOYSA-N |
| Molecular Formula | C12H18BNO4 |
Indole-2-carboxylic acid, 99%
CAS: 1477-50-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005611 InChI Key: HCUARRIEZVDMPT-UHFFFAOYSA-N Synonym: indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole PubChem CID: 72899 IUPAC Name: 1H-indole-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC=CC=C2N1
| PubChem CID | 72899 |
|---|---|
| CAS | 1477-50-5 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00005611 |
| SMILES | OC(=O)C1=CC2=CC=CC=C2N1 |
| Synonym | indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole |
| IUPAC Name | 1H-indole-2-carboxylic acid |
| InChI Key | HCUARRIEZVDMPT-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
6-Hydroxyhexanoic acid, 95%, may cont. variable amounts of dimer
CAS: 1191-25-9 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.159 MDL Number: MFCD00046560 InChI Key: IWHLYPDWHHPVAA-UHFFFAOYSA-N Synonym: 6-hydroxycaproic acid,6-hydroxyhexanoate,hexanoic acid, 6-hydroxy,6-hydroxy caproic acid,6-hydroxy-hexanoic acid,epsilon-hydroxycaproic acid,5-carboxypentanol,unii-3y3ox37nm8,6-hydroxycaproicacid,pract.,containslactone,6-hydroxy-caproic acid PubChem CID: 14490 ChEBI: CHEBI:17869 IUPAC Name: 6-hydroxyhexanoic acid SMILES: C(CCC(=O)O)CCO
| PubChem CID | 14490 |
|---|---|
| CAS | 1191-25-9 |
| Molecular Weight (g/mol) | 132.159 |
| ChEBI | CHEBI:17869 |
| MDL Number | MFCD00046560 |
| SMILES | C(CCC(=O)O)CCO |
| Synonym | 6-hydroxycaproic acid,6-hydroxyhexanoate,hexanoic acid, 6-hydroxy,6-hydroxy caproic acid,6-hydroxy-hexanoic acid,epsilon-hydroxycaproic acid,5-carboxypentanol,unii-3y3ox37nm8,6-hydroxycaproicacid,pract.,containslactone,6-hydroxy-caproic acid |
| IUPAC Name | 6-hydroxyhexanoic acid |
| InChI Key | IWHLYPDWHHPVAA-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
Diethyl 12-mercaptododecylphosphonate, 95%
CAS: 1049677-30-6 Molecular Formula: C16H35O3PS Molecular Weight (g/mol): 338.49 MDL Number: MFCD11046117 InChI Key: JAVFXEXYSKLPHD-UHFFFAOYSA-N Synonym: diethyl 12-mercaptododecylphosphonate,diethyl 12-sulfanyldodecylphosphonate,12-mercaptododecylphosphonic acid diethyl ester PubChem CID: 45158995 IUPAC Name: 12-diethoxyphosphoryldodecane-1-thiol SMILES: CCOP(=O)(CCCCCCCCCCCCS)OCC
| PubChem CID | 45158995 |
|---|---|
| CAS | 1049677-30-6 |
| Molecular Weight (g/mol) | 338.49 |
| MDL Number | MFCD11046117 |
| SMILES | CCOP(=O)(CCCCCCCCCCCCS)OCC |
| Synonym | diethyl 12-mercaptododecylphosphonate,diethyl 12-sulfanyldodecylphosphonate,12-mercaptododecylphosphonic acid diethyl ester |
| IUPAC Name | 12-diethoxyphosphoryldodecane-1-thiol |
| InChI Key | JAVFXEXYSKLPHD-UHFFFAOYSA-N |
| Molecular Formula | C16H35O3PS |
2-(Trifluoromethyl)pyridine-5-boronic acid, 98%
CAS: 868662-36-6 Molecular Formula: C6H5BF3NO2 Molecular Weight (g/mol): 190.916 MDL Number: MFCD07375381 InChI Key: BNTIPMNMTIAWIW-UHFFFAOYSA-N Synonym: 2-trifluoromethyl pyridine-5-boronic acid,6-trifluoromethyl pyridin-3-yl boronic acid,2-trifluoromethyl-5-pyridineboric acid,2-trifluoromethyl pyridin-5-ylboronic acid,6-trifluoromethyl pyridine-3-boronic acid,6-trifluoromethyl pyridin-3-ylboronic acid,2-trifluoromethylpyridine-5-boronic acid,2-trifluoromethyl-5-pyridineboronic acid,6-trifluoromethyl-3-pyridylboronic acid PubChem CID: 25134278 IUPAC Name: [6-(trifluoromethyl)pyridin-3-yl]boronic acid SMILES: B(C1=CN=C(C=C1)C(F)(F)F)(O)O
| PubChem CID | 25134278 |
|---|---|
| CAS | 868662-36-6 |
| Molecular Weight (g/mol) | 190.916 |
| MDL Number | MFCD07375381 |
| SMILES | B(C1=CN=C(C=C1)C(F)(F)F)(O)O |
| Synonym | 2-trifluoromethyl pyridine-5-boronic acid,6-trifluoromethyl pyridin-3-yl boronic acid,2-trifluoromethyl-5-pyridineboric acid,2-trifluoromethyl pyridin-5-ylboronic acid,6-trifluoromethyl pyridine-3-boronic acid,6-trifluoromethyl pyridin-3-ylboronic acid,2-trifluoromethylpyridine-5-boronic acid,2-trifluoromethyl-5-pyridineboronic acid,6-trifluoromethyl-3-pyridylboronic acid |
| IUPAC Name | [6-(trifluoromethyl)pyridin-3-yl]boronic acid |
| InChI Key | BNTIPMNMTIAWIW-UHFFFAOYSA-N |
| Molecular Formula | C6H5BF3NO2 |
Methyl cinnamate, predominantly trans, 99%
CAS: 103-26-4 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00008458 InChI Key: CCRCUPLGCSFEDV-BQYQJAHWSA-N Synonym: methyl cinnamate,methyl trans-cinnamate,methyl e-cinnamate,cinnamic acid methyl ester,methyl cinnamylate,methyl 3-phenylacrylate,methyl e-3-phenylprop-2-enoate,methyl 3-phenylpropenoate,trans-cinnamic acid methyl ester,trans-methyl cinnamate PubChem CID: 637520 ChEBI: CHEBI:6857 IUPAC Name: methyl (E)-3-phenylprop-2-enoate SMILES: COC(=O)C=CC1=CC=CC=C1
| PubChem CID | 637520 |
|---|---|
| CAS | 103-26-4 |
| Molecular Weight (g/mol) | 162.188 |
| ChEBI | CHEBI:6857 |
| MDL Number | MFCD00008458 |
| SMILES | COC(=O)C=CC1=CC=CC=C1 |
| Synonym | methyl cinnamate,methyl trans-cinnamate,methyl e-cinnamate,cinnamic acid methyl ester,methyl cinnamylate,methyl 3-phenylacrylate,methyl e-3-phenylprop-2-enoate,methyl 3-phenylpropenoate,trans-cinnamic acid methyl ester,trans-methyl cinnamate |
| IUPAC Name | methyl (E)-3-phenylprop-2-enoate |
| InChI Key | CCRCUPLGCSFEDV-BQYQJAHWSA-N |
| Molecular Formula | C10H10O2 |
(Aminomethyl)phosphonic acid, 99%, Thermo Scientific Chemicals
CAS: 1066-51-9 Molecular Formula: CH6NO3P Molecular Weight (g/mol): 111.04 MDL Number: MFCD00008105 InChI Key: MGRVRXRGTBOSHW-UHFFFAOYSA-N Synonym: aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl PubChem CID: 14017 ChEBI: CHEBI:28812 IUPAC Name: aminomethylphosphonic acid SMILES: C(N)P(=O)(O)O
| PubChem CID | 14017 |
|---|---|
| CAS | 1066-51-9 |
| Molecular Weight (g/mol) | 111.04 |
| ChEBI | CHEBI:28812 |
| MDL Number | MFCD00008105 |
| SMILES | C(N)P(=O)(O)O |
| Synonym | aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl |
| IUPAC Name | aminomethylphosphonic acid |
| InChI Key | MGRVRXRGTBOSHW-UHFFFAOYSA-N |
| Molecular Formula | CH6NO3P |
O-(1H-Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate, 99%
CAS: 125700-67-6 Molecular Formula: C11H16BF4N5O Molecular Weight (g/mol): 321.09 MDL Number: MFCD00077413 InChI Key: JKEKMBGUVUKMQB-UHFFFAOYSA-N Synonym: tbtu,2-1h-benzotriazole-1-yl-1,1,3,3-tetramethyluronium tetrafluoroborate,o-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium tetrafluoroborate,2-1h-benzo d 1,2,3 triazol-1-yl-1,1,3,3-tetramethyluronium tetrafluoroborate,2-1h-benzotriazol-1-yl-1,1,3,3-tetramethyluronium tetrafluoroborate,n,n,n',n'-tetramethyl-o-benzotriazol-1-yl uronium tetrafluoroborate,o-1h-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium tetrafluoroborate,o-1h-benzotriazol-1-yl-n,n,n',n'-tetramethyluroniumtetrafluoroborate,o-benzotriazol-1-yl-n,n,n',n'-tetra methyluronium tetrafluoroborate PubChem CID: 2733207 SMILES: F[B-](F)(F)F.CN(C)C(ON1N=NC2=CC=CC=C12)=[N+](C)C
| PubChem CID | 2733207 |
|---|---|
| CAS | 125700-67-6 |
| Molecular Weight (g/mol) | 321.09 |
| MDL Number | MFCD00077413 |
| SMILES | F[B-](F)(F)F.CN(C)C(ON1N=NC2=CC=CC=C12)=[N+](C)C |
| Synonym | tbtu,2-1h-benzotriazole-1-yl-1,1,3,3-tetramethyluronium tetrafluoroborate,o-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium tetrafluoroborate,2-1h-benzo d 1,2,3 triazol-1-yl-1,1,3,3-tetramethyluronium tetrafluoroborate,2-1h-benzotriazol-1-yl-1,1,3,3-tetramethyluronium tetrafluoroborate,n,n,n',n'-tetramethyl-o-benzotriazol-1-yl uronium tetrafluoroborate,o-1h-benzotriazol-1-yl-n,n,n',n'-tetramethyluronium tetrafluoroborate,o-1h-benzotriazol-1-yl-n,n,n',n'-tetramethyluroniumtetrafluoroborate,o-benzotriazol-1-yl-n,n,n',n'-tetra methyluronium tetrafluoroborate |
| InChI Key | JKEKMBGUVUKMQB-UHFFFAOYSA-N |
| Molecular Formula | C11H16BF4N5O |
3,5-Dimethyl-1-adamantaneacetic acid, 97%
CAS: 14202-14-3 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.328 MDL Number: MFCD00077207 InChI Key: FUOXJVUIQUYDDI-UHFFFAOYSA-N Synonym: 3,5-dimethyl-1-adamantyl acetic acid,3,5-dimethyl-1-adamantaneacetic acid,3,5-dimethyladamantane-1-acetic acid,2-3,5-dimethyl-1-adamantyl acetic acid,2-3,5-dimethyladamantan-1-yl acetic acid,3,5-dimethyladamantan-1-yl acetic acid,2-3,5-dimethyladamantanyl acetic acid,3,5-dimethyltricyclo 3.3.1.1∼3,7∼ dec-1-yl acetic acid,acmc-20ancc,3,5-dimethyladamantaneacetic acid PubChem CID: 4067589 IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)acetic acid SMILES: CC12CC3CC(C1)(CC(C3)(C2)CC(=O)O)C
| PubChem CID | 4067589 |
|---|---|
| CAS | 14202-14-3 |
| Molecular Weight (g/mol) | 222.328 |
| MDL Number | MFCD00077207 |
| SMILES | CC12CC3CC(C1)(CC(C3)(C2)CC(=O)O)C |
| Synonym | 3,5-dimethyl-1-adamantyl acetic acid,3,5-dimethyl-1-adamantaneacetic acid,3,5-dimethyladamantane-1-acetic acid,2-3,5-dimethyl-1-adamantyl acetic acid,2-3,5-dimethyladamantan-1-yl acetic acid,3,5-dimethyladamantan-1-yl acetic acid,2-3,5-dimethyladamantanyl acetic acid,3,5-dimethyltricyclo 3.3.1.1∼3,7∼ dec-1-yl acetic acid,acmc-20ancc,3,5-dimethyladamantaneacetic acid |
| IUPAC Name | 2-(3,5-dimethyl-1-adamantyl)acetic acid |
| InChI Key | FUOXJVUIQUYDDI-UHFFFAOYSA-N |
| Molecular Formula | C14H22O2 |
Ethyl N-phenylformimidate, 97%
CAS: 6780-49-0 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00043655 InChI Key: DRDBNKYFCOLNQO-UHFFFAOYSA-N Synonym: ethyl n-phenylformimidate,ethyl isoformanilide,n-ethoxymethyleneaniline,methanimidic acid, n-phenyl-, ethyl ester,ethyl phenylimidoformate,n-ethoxymethylene aniline,ethyl n-phenylcarboximidate,ethylisoformanilide,e-ethyl n-phenylcarboximidate,ethyl iso-formanilide PubChem CID: 111236 IUPAC Name: ethyl N-phenylmethanimidate SMILES: CCOC=NC1=CC=CC=C1
| PubChem CID | 111236 |
|---|---|
| CAS | 6780-49-0 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00043655 |
| SMILES | CCOC=NC1=CC=CC=C1 |
| Synonym | ethyl n-phenylformimidate,ethyl isoformanilide,n-ethoxymethyleneaniline,methanimidic acid, n-phenyl-, ethyl ester,ethyl phenylimidoformate,n-ethoxymethylene aniline,ethyl n-phenylcarboximidate,ethylisoformanilide,e-ethyl n-phenylcarboximidate,ethyl iso-formanilide |
| IUPAC Name | ethyl N-phenylmethanimidate |
| InChI Key | DRDBNKYFCOLNQO-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |