![2-(4-Hydroxyphenyl)propanedioic acid 1-[(4-methoxyphenyl)methyl] ester structure, CAS 78641-40-4](/structures/60000/48262_1_78641_40_4.png)
CAS Number78641-40-4
SynonymsEINECS 278-959-1; ((4-Methoxyphenyl)methyl) hydrogen (4-hydroxyphenyl)malonate; 2-(4-Hydroxyphenyl)-3-((4-methoxybenzyl)oxy)-3-oxopropanoic acid; 2-(4-Hydroxyphenyl)propanedioic acid 1-[(4-methoxyphenyl)methyl] ester; I01-9771
Molecular FormulaC17H16O6
Molecular Weight576.69
Purity≥98 (HPLC)%
Density1.333g/cm3
Boiling Point519.6ºC at 760 mmHg
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 78641-40-4 |
| Catalog No. | 2A-9048262 |
| Chinese Name | 拉氧头孢钠 7-位侧链 |
| Synonyms | EINECS 278-959-1; ((4-Methoxyphenyl)methyl) hydrogen (4-hydroxyphenyl)malonate; 2-(4-Hydroxyphenyl)-3-((4-methoxybenzyl)oxy)-3-oxopropanoic acid; 2-(4-Hydroxyphenyl)propanedioic acid 1-[(4-methoxyphenyl)methyl] ester; I01-9771 |
| Molecular Formula | C17H16O6 |
| Molecular Weight | 576.69 |
| Purity | ≥98 (HPLC) |
| Density | 1.333g/cm3 |
| Boiling Point | 519.6ºC at 760 mmHg |
| Appearance | powder |
| Storage Condition | -20°C, dry |
| HTC | 2918990090 |
| PubChem ID | 125328526 |
| SMILES | O=C(N1OC(N2CCN(C3=CC=C(OC)C=C3)CC2)=O)C(CN(CC4CCN(CC5=CC=CC=C5)CC4)CC6)N6C1=O |
| InChI | 1S/C31H40N6O5/c1-41-27-9-7-26(8-10-27)34-16-18-35(19-17-34)31(40)42-37-29(38)28-23-33(15-20-36(28)30(37)39)22-25-11-13-32(14-12-25)21-24-5-3-2-4-6-24/h2-10,25,28H,11-23H2,1H3 |
| InChI Key | YHRQLTHMALGXOG-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/48262_1_78641_40_4.pdf |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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