In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 14 | Yes |
Popular Name: Dimethyl isophthalate Dimethyl isophthalate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1459-93-4 , [744-45-6]
1,3-dimethyl benzene-1,3-dicarboxylate
Benzene-1,3-dicarboxylic acid dimethyl ester
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.26 | 5.78 | -11.05 | 0 | 4 | 0 | 53 | 194.186 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP [°C] | 124 (p=12 torr) | Acros Organics |
BP | 124 / 2 | TCI |
Boiling_Point | 282? | Alfa-Aesar |
Boiling_Point | 282° | Alfa-Aesar |
Melting_Point | 67-70? | Alfa-Aesar |
Melting_Point | 67-70° | Alfa-Aesar |
MP | 68 - 71 | Enamine Building Blocks |
MP | 68...71 | Enamine Building Blocks |
MP | 69 | TCI |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
Purity | 99%min | APIChem |
Mp [°C] | >66 | Acros Organics |
S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |