| Catalog Number |
ACM93951894 |
| CAS |
93951-89-4 |
| Structure |
 |
| Synonyms |
Dimethyl 1,2-Benzenedicarboxylate; Phthalic Acid Dimethyl Ester |
| IUPAC Name |
dimethyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate |
| Molecular Weight |
198.21 |
| Molecular Formula |
C6D4(COOCH3)2 |
| Canonical SMILES |
COC(=O)C1=CC=CC=C1C(=O)OC |
| InChI |
InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3/i3D,4D,5D,6D |
| InChI Key |
NIQCNGHVCWTJSM-LNFUJOGGSA-N |
| Boiling Point |
282 °C (lit.) |
| Melting Point |
2 °C (lit.) |
| Flash Point |
295 °F |
| Purity |
98% |
| Density |
1.214 g/mL at 25 °C |
| Appearance |
Neat |
| Chemical Formula |
C6D4(COOCH3)2 |
| Exact Mass |
198.08301578 |
| Functional Group |
Esters & Lactones |
| Hazards |
Non-hazardous for transport. |
| Isomeric SMILES |
[2H]C1=C(C(=C(C(=C1[2H])C(=O)OC)C(=O)OC)[2H])[2H] |
| Isotopic Enrichment |
99 atom % D |
| Monoisotopic Mass |
198.08301578 |
| Packaging |
0.05 g
In Stock
0.1 g
In Stock |
| Shipping Hazards |
NON-HAZARDOUS FOR TRANSPORT |
| Stability |
Stable if stored under recommended conditions (see section 7 of SDS). After three years, the compound should be re-analyzed for chemical purity before use. |
| Storage Conditions |
Store at room temperature |
| Unlabeled CAS |
131-11-3 |
| Unlabeled Synonyms |
Dimethyl 1,2-benzenedicarboxylate |
