Organic acids and derivatives
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Phthalic Anhydride, ACS, 99.0-100.2%, Spectrum™ Chemical
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CAS: 85-44-9 Molecular Formula: C8H4O3 Molecular Weight (g/mol): 148.12 InChI Key: LGRFSURHDFAFJT-UHFFFAOYSA-N IUPAC Name: 1,3-dihydro-2-benzofuran-1,3-dione SMILES: O=C1OC(=O)C2=CC=CC=C12
| CAS | 85-44-9 |
|---|---|
| Molecular Weight (g/mol) | 148.12 |
| SMILES | O=C1OC(=O)C2=CC=CC=C12 |
| IUPAC Name | 1,3-dihydro-2-benzofuran-1,3-dione |
| InChI Key | LGRFSURHDFAFJT-UHFFFAOYSA-N |
| Molecular Formula | C8H4O3 |
Methyl trimethylacetate, 99%
CAS: 598-98-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008843 InChI Key: CNMFHDIDIMZHKY-UHFFFAOYSA-N Synonym: methyl pivalate,methyl trimethylacetate,propanoic acid, 2,2-dimethyl-, methyl ester,pivalic acid, methyl ester,unii-bfx9w386ox,bfx9w386ox,pivalic acid methyl ester,methyl pivaloate,methyltrimethylacetate,tert-c4h9cooch3 PubChem CID: 69027 IUPAC Name: methyl 2,2-dimethylpropanoate SMILES: CC(C)(C)C(=O)OC
| PubChem CID | 69027 |
|---|---|
| CAS | 598-98-1 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00008843 |
| SMILES | CC(C)(C)C(=O)OC |
| Synonym | methyl pivalate,methyl trimethylacetate,propanoic acid, 2,2-dimethyl-, methyl ester,pivalic acid, methyl ester,unii-bfx9w386ox,bfx9w386ox,pivalic acid methyl ester,methyl pivaloate,methyltrimethylacetate,tert-c4h9cooch3 |
| IUPAC Name | methyl 2,2-dimethylpropanoate |
| InChI Key | CNMFHDIDIMZHKY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Triphosgene, 99%
CAS: 32315-10-9 Molecular Formula: C3Cl6O3 Molecular Weight (g/mol): 296.75 InChI Key: UCPYLLCMEDAXFR-UHFFFAOYSA-N Synonym: triphosgene,bis trichloromethyl carbonate,methanol, trichloro-, carbonate 2:1,ditrichloromethyl carbonate,triphosgene bis-trichloromethyl carbonate,methanol, 1,1,1-trichloro-, 1,1'-carbonate,triphosgen,tri phosgene,tri-phosgene PubChem CID: 94429 IUPAC Name: bis(trichloromethyl) carbonate SMILES: C(=O)(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl
| PubChem CID | 94429 |
|---|---|
| CAS | 32315-10-9 |
| Molecular Weight (g/mol) | 296.75 |
| SMILES | C(=O)(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl |
| Synonym | triphosgene,bis trichloromethyl carbonate,methanol, trichloro-, carbonate 2:1,ditrichloromethyl carbonate,triphosgene bis-trichloromethyl carbonate,methanol, 1,1,1-trichloro-, 1,1'-carbonate,triphosgen,tri phosgene,tri-phosgene |
| IUPAC Name | bis(trichloromethyl) carbonate |
| InChI Key | UCPYLLCMEDAXFR-UHFFFAOYSA-N |
| Molecular Formula | C3Cl6O3 |
3-Nitrophthalimide, 98%
CAS: 603-62-3 Molecular Formula: C8H4N2O4 Molecular Weight (g/mol): 192.13 MDL Number: MFCD00041852 InChI Key: BONIIQYTWOPUQI-UHFFFAOYSA-N Synonym: 3-nitrophthalimide,4-nitroisoindoline-1,3-dione,phthalimide, 3-nitro,1h-isoindole-1,3 2h-dione, 4-nitro,nitrophthalimide,4-nitro-2,3-dihydro-1h-isoindole-1,3-dione,4-nitro-1h-isoindole-1,3 2h-dione,4-nitro-2h-benzo c azoline-1,3-dione,3-nitro-phthalimide,pubchem12007 PubChem CID: 11779 IUPAC Name: 4-nitroisoindole-1,3-dione SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NC2=O
| PubChem CID | 11779 |
|---|---|
| CAS | 603-62-3 |
| Molecular Weight (g/mol) | 192.13 |
| MDL Number | MFCD00041852 |
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NC2=O |
| Synonym | 3-nitrophthalimide,4-nitroisoindoline-1,3-dione,phthalimide, 3-nitro,1h-isoindole-1,3 2h-dione, 4-nitro,nitrophthalimide,4-nitro-2,3-dihydro-1h-isoindole-1,3-dione,4-nitro-1h-isoindole-1,3 2h-dione,4-nitro-2h-benzo c azoline-1,3-dione,3-nitro-phthalimide,pubchem12007 |
| IUPAC Name | 4-nitroisoindole-1,3-dione |
| InChI Key | BONIIQYTWOPUQI-UHFFFAOYSA-N |
| Molecular Formula | C8H4N2O4 |
2-Cyanophenylboronic acid, 98%
CAS: 138642-62-3 Molecular Formula: C7H6BNO2 Molecular Weight (g/mol): 146.94 MDL Number: MFCD01632208 InChI Key: NPLZNDDFVCGRAG-UHFFFAOYSA-N Synonym: 2-cyanophenyl boronic acid,2-cyanobenzeneboronic acid,2-cyanophenylboric acid,2-cyanophenylboronicacid,2-dihydroxyboranyl benzonitrile,boronic acid, b-2-cyanophenyl,2-boronobenzonitrile,2-cyanobenzene boronic acid,2-cyano-phenyl-boronic acid,boronic acid, cyanophenyl PubChem CID: 2734610 IUPAC Name: (2-cyanophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1C#N
| PubChem CID | 2734610 |
|---|---|
| CAS | 138642-62-3 |
| Molecular Weight (g/mol) | 146.94 |
| MDL Number | MFCD01632208 |
| SMILES | OB(O)C1=CC=CC=C1C#N |
| Synonym | 2-cyanophenyl boronic acid,2-cyanobenzeneboronic acid,2-cyanophenylboric acid,2-cyanophenylboronicacid,2-dihydroxyboranyl benzonitrile,boronic acid, b-2-cyanophenyl,2-boronobenzonitrile,2-cyanobenzene boronic acid,2-cyano-phenyl-boronic acid,boronic acid, cyanophenyl |
| IUPAC Name | (2-cyanophenyl)boronic acid |
| InChI Key | NPLZNDDFVCGRAG-UHFFFAOYSA-N |
| Molecular Formula | C7H6BNO2 |
Sodium 3-bromopropanesulfonate, 97%
CAS: 55788-44-8 Molecular Formula: C3H7BrNaO3S Molecular Weight (g/mol): 226.04 MDL Number: MFCD00024999 InChI Key: ONPNLMMBTJZJRQ-UHFFFAOYSA-N Synonym: sodium 3-bromopropanesulfonate,sodium 3-bromopropane-1-sulfonate,3-bromopropanesulfonic acid sodium salt,acmc-209lpd,sodium 3-bromo-1-propanesulfonate,sodium 3-bromo-propane-1-sulphonate,3-bromopropane sulfonic acid sodium salt,3-bromo-1-propanesulfonic acid sodium salt,1-propanesulfonic acid, 3-bromo-, sodium salt PubChem CID: 23679056 IUPAC Name: sodium;3-bromopropane-1-sulfonate SMILES: [Na].OS(=O)(=O)CCCBr
| PubChem CID | 23679056 |
|---|---|
| CAS | 55788-44-8 |
| Molecular Weight (g/mol) | 226.04 |
| MDL Number | MFCD00024999 |
| SMILES | [Na].OS(=O)(=O)CCCBr |
| Synonym | sodium 3-bromopropanesulfonate,sodium 3-bromopropane-1-sulfonate,3-bromopropanesulfonic acid sodium salt,acmc-209lpd,sodium 3-bromo-1-propanesulfonate,sodium 3-bromo-propane-1-sulphonate,3-bromopropane sulfonic acid sodium salt,3-bromo-1-propanesulfonic acid sodium salt,1-propanesulfonic acid, 3-bromo-, sodium salt |
| IUPAC Name | sodium;3-bromopropane-1-sulfonate |
| InChI Key | ONPNLMMBTJZJRQ-UHFFFAOYSA-N |
| Molecular Formula | C3H7BrNaO3S |
1,1,1,3,3,3-Hexafluoroisopropyl methacrylate, 99%, stab.
CAS: 3063-94-3 Molecular Formula: C7H6F6O2 Molecular Weight (g/mol): 236.113 MDL Number: MFCD00040105 InChI Key: FMQPBWHSNCRVQJ-UHFFFAOYSA-N Synonym: hexafluoroisopropyl methacrylate,1,1,1,3,3,3-hexafluoroisopropyl methacrylate,2-propenoic acid, 2-methyl-, 2,2,2-trifluoro-1-trifluoromethyl ethyl ester,methacrylic acid 1,1,1,3,3,3-hexafluoroisopropyl ester,2,2,2-trifluoro-1-trifluoromethyl ethyl methacrylate,hexafluoro-2-propyl methacrylate,1h-1-trifluoromethyl trifluoroethyl methacrylate,1,1,1,3,3,3-hexafluoroprop-2-yl 2-methylprop-2-enoate,1,1,1,3,3,3-hexafluoro-2-propanyl methacrylate,hfipma PubChem CID: 76469 IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC(C(F)(F)F)C(F)(F)F
| PubChem CID | 76469 |
|---|---|
| CAS | 3063-94-3 |
| Molecular Weight (g/mol) | 236.113 |
| MDL Number | MFCD00040105 |
| SMILES | CC(=C)C(=O)OC(C(F)(F)F)C(F)(F)F |
| Synonym | hexafluoroisopropyl methacrylate,1,1,1,3,3,3-hexafluoroisopropyl methacrylate,2-propenoic acid, 2-methyl-, 2,2,2-trifluoro-1-trifluoromethyl ethyl ester,methacrylic acid 1,1,1,3,3,3-hexafluoroisopropyl ester,2,2,2-trifluoro-1-trifluoromethyl ethyl methacrylate,hexafluoro-2-propyl methacrylate,1h-1-trifluoromethyl trifluoroethyl methacrylate,1,1,1,3,3,3-hexafluoroprop-2-yl 2-methylprop-2-enoate,1,1,1,3,3,3-hexafluoro-2-propanyl methacrylate,hfipma |
| IUPAC Name | 1,1,1,3,3,3-hexafluoropropan-2-yl 2-methylprop-2-enoate |
| InChI Key | FMQPBWHSNCRVQJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6F6O2 |
Sodium 1-tetradecyl sulfate, 95%, cont. up to ca 5% sodium methyl sulfate
CAS: 1191-50-0 Molecular Formula: C14H29NaO4S Molecular Weight (g/mol): 316.43 MDL Number: MFCD00007468 InChI Key: UPUIQOIQVMNQAP-UHFFFAOYSA-M Synonym: sodium tetradecyl sulfate,sodium myristyl sulfate,niaproof 4,sodium tetradecyl sulphate,tesapon k 14,texapon k 14,trombavar,natri tetradecylsulfas,sotradecol sodium,tetradecyl sodium sulfate PubChem CID: 23665770 IUPAC Name: sodium;tetradecyl sulfate SMILES: [Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O
| PubChem CID | 23665770 |
|---|---|
| CAS | 1191-50-0 |
| Molecular Weight (g/mol) | 316.43 |
| MDL Number | MFCD00007468 |
| SMILES | [Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O |
| Synonym | sodium tetradecyl sulfate,sodium myristyl sulfate,niaproof 4,sodium tetradecyl sulphate,tesapon k 14,texapon k 14,trombavar,natri tetradecylsulfas,sotradecol sodium,tetradecyl sodium sulfate |
| IUPAC Name | sodium;tetradecyl sulfate |
| InChI Key | UPUIQOIQVMNQAP-UHFFFAOYSA-M |
| Molecular Formula | C14H29NaO4S |
(S)-(-)-2-Chloropropionic acid, 98%
CAS: 29617-66-1 Molecular Formula: C3H4ClO2 Molecular Weight (g/mol): 107.51 MDL Number: MFCD00064205 InChI Key: GAWAYYRQGQZKCR-REOHCLBHSA-M Synonym: s---2-chloropropionic acid,s-2-chloropropanoic acid,s-2-chloropropionic acid,2s-2-chloropropanoic acid,l-2-chloropropanoic acid,l-2-chloropropionic acid,alpha-l-chloropropionic acid,unii-pcc7j322cm,2s-chloropropanoic acid,2 s-chloropropionic acid PubChem CID: 107915 ChEBI: CHEBI:73956 IUPAC Name: (2S)-2-chloropropanoic acid SMILES: C[C@H](Cl)C([O-])=O
| PubChem CID | 107915 |
|---|---|
| CAS | 29617-66-1 |
| Molecular Weight (g/mol) | 107.51 |
| ChEBI | CHEBI:73956 |
| MDL Number | MFCD00064205 |
| SMILES | C[C@H](Cl)C([O-])=O |
| Synonym | s---2-chloropropionic acid,s-2-chloropropanoic acid,s-2-chloropropionic acid,2s-2-chloropropanoic acid,l-2-chloropropanoic acid,l-2-chloropropionic acid,alpha-l-chloropropionic acid,unii-pcc7j322cm,2s-chloropropanoic acid,2 s-chloropropionic acid |
| IUPAC Name | (2S)-2-chloropropanoic acid |
| InChI Key | GAWAYYRQGQZKCR-REOHCLBHSA-M |
| Molecular Formula | C3H4ClO2 |
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 |
α-Ketoglutaric Acid Disodium Salt, Dihydrate, MP Biomedicals™
CAS: 305-72-6 Molecular Formula: C5H4Na2O5 Molecular Weight (g/mol): 190.062 MDL Number: MFCD00150702 InChI Key: YBGBJYVHJTVUSL-UHFFFAOYSA-L Synonym: disodium 2-oxoglutarate,unii-flp7p4rm46,disodium 2-oxopentanedioate,flp7p4rm46,pentanedioic acid, 2-oxo-, disodium salt,2-oxoglutaric acid disodium salt,2-ketoglutaric acid disodium salt,alpha-ketoglutaric acid sodium salt,disodium ? ketoglutarate,disodium oxoglurate PubChem CID: 31040 IUPAC Name: disodium;2-oxopentanedioate SMILES: C(CC(=O)[O-])C(=O)C(=O)[O-].[Na+].[Na+]
| PubChem CID | 31040 |
|---|---|
| CAS | 305-72-6 |
| Molecular Weight (g/mol) | 190.062 |
| MDL Number | MFCD00150702 |
| SMILES | C(CC(=O)[O-])C(=O)C(=O)[O-].[Na+].[Na+] |
| Synonym | disodium 2-oxoglutarate,unii-flp7p4rm46,disodium 2-oxopentanedioate,flp7p4rm46,pentanedioic acid, 2-oxo-, disodium salt,2-oxoglutaric acid disodium salt,2-ketoglutaric acid disodium salt,alpha-ketoglutaric acid sodium salt,disodium ? ketoglutarate,disodium oxoglurate |
| IUPAC Name | disodium;2-oxopentanedioate |
| InChI Key | YBGBJYVHJTVUSL-UHFFFAOYSA-L |
| Molecular Formula | C5H4Na2O5 |
2-Sulfobenzoic anhydride, 94%
CAS: 81-08-3 Molecular Formula: C7H4O4S Molecular Weight (g/mol): 184.165 MDL Number: MFCD00005879 InChI Key: NCYNKWQXFADUOZ-UHFFFAOYSA-N Synonym: 2-sulfobenzoic anhydride,2-sulfobenzoic acid cyclic anhydride,sulfobenzoic anhydride,o-sulfobenzoic acid anhydride,3h-2,1-benzoxathiol-3-one, 1,1-dioxide,3h-benzo c 1,2 oxathiol-3-one 1,1-dioxide,unii-0swh68iq5w,o-sulfobenzoic acid, cyclic anhydride,2,1-benzoxathiol-3-one-1,1-dioxide,0swh68iq5w PubChem CID: 65729 IUPAC Name: 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one SMILES: C1=CC=C2C(=C1)C(=O)OS2(=O)=O
| PubChem CID | 65729 |
|---|---|
| CAS | 81-08-3 |
| Molecular Weight (g/mol) | 184.165 |
| MDL Number | MFCD00005879 |
| SMILES | C1=CC=C2C(=C1)C(=O)OS2(=O)=O |
| Synonym | 2-sulfobenzoic anhydride,2-sulfobenzoic acid cyclic anhydride,sulfobenzoic anhydride,o-sulfobenzoic acid anhydride,3h-2,1-benzoxathiol-3-one, 1,1-dioxide,3h-benzo c 1,2 oxathiol-3-one 1,1-dioxide,unii-0swh68iq5w,o-sulfobenzoic acid, cyclic anhydride,2,1-benzoxathiol-3-one-1,1-dioxide,0swh68iq5w |
| IUPAC Name | 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one |
| InChI Key | NCYNKWQXFADUOZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4O4S |
Octane-1-sulfonic acid sodium salt, LiChropur™, MilliporeSigma™
CAS: 5324-84-5 Molecular Formula: C8H17NaO3S Molecular Weight (g/mol): 216.27 MDL Number: MFCD00007544 InChI Key: HRQDCDQDOPSGBR-UHFFFAOYSA-M Synonym: sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8 PubChem CID: 23669624 IUPAC Name: sodium octane-1-sulfonate SMILES: [Na+].CCCCCCCCS([O-])(=O)=O
| PubChem CID | 23669624 |
|---|---|
| CAS | 5324-84-5 |
| Molecular Weight (g/mol) | 216.27 |
| MDL Number | MFCD00007544 |
| SMILES | [Na+].CCCCCCCCS([O-])(=O)=O |
| Synonym | sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8 |
| IUPAC Name | sodium octane-1-sulfonate |
| InChI Key | HRQDCDQDOPSGBR-UHFFFAOYSA-M |
| Molecular Formula | C8H17NaO3S |
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 |
1-Cyclohexene-1-carboxylic acid, 97%
CAS: 636-82-8 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.155 MDL Number: MFCD00001545 InChI Key: NMEZJSDUZQOPFE-UHFFFAOYSA-N Synonym: 1-cyclohexene-1-carboxylic acid,1-cyclohexenecarboxylic acid,cyclohex-1-enecarboxylic acid,cyclohexenecarboxylic acid,cyclohex-1-ene-1-carboxylic acid,1-cyclohexenecarboxylicacid,cyclohexenyl carboxylic acid,1-cyclohexene carboxylic acid,acmc-1b731,3,4,5,6-tetrahydrobenzoic acid PubChem CID: 69470 ChEBI: CHEBI:29565 IUPAC Name: cyclohexene-1-carboxylic acid SMILES: C1CCC(=CC1)C(=O)O
| PubChem CID | 69470 |
|---|---|
| CAS | 636-82-8 |
| Molecular Weight (g/mol) | 126.155 |
| ChEBI | CHEBI:29565 |
| MDL Number | MFCD00001545 |
| SMILES | C1CCC(=CC1)C(=O)O |
| Synonym | 1-cyclohexene-1-carboxylic acid,1-cyclohexenecarboxylic acid,cyclohex-1-enecarboxylic acid,cyclohexenecarboxylic acid,cyclohex-1-ene-1-carboxylic acid,1-cyclohexenecarboxylicacid,cyclohexenyl carboxylic acid,1-cyclohexene carboxylic acid,acmc-1b731,3,4,5,6-tetrahydrobenzoic acid |
| IUPAC Name | cyclohexene-1-carboxylic acid |
| InChI Key | NMEZJSDUZQOPFE-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |