| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 18th, 2005 | 10 | No |
Popular Name: Dimethyl fumarate Dimethyl fumarate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 23055-10-9 , 624-48-6 , 624-49-7
1,4-dimethyl (2E)-but-2-enedioate
624-49-7; D03846; Dimethyl fumarate (USAN)
| 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) | 0.56 | 3.49 | -5.83 | 0 | 4 | 0 | 53 | 144.126 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 19? | Alfa-Aesar |
| Melting_Point | 19° | Alfa-Aesar |
| mp | 102 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 102 - 104 | Enamine Building Blocks |
| Mp [°C] | 102 - 105 | Acros Organics |
| Melting_Point | 102-105? | Alfa-Aesar |
| Melting_Point | 102-105° | Alfa-Aesar |
| MP | 102...104 | Enamine Building Blocks |
| MP | 104 | TCI |
| BP [°C] | 192 - 193 | Acros Organics |
| Boiling_Point | 192-193? | Alfa-Aesar |
| Boiling_Point | 192-193° | Alfa-Aesar |
| Boiling_Point | 204-205? | Alfa-Aesar |
| Boiling_Point | 204-205° | Alfa-Aesar |
| BP | 205 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H317: May cause an allergic skin reaction | Acros Organics |
| Therapy | immunomodulator | SMDC Pharmakon |
| Target | Others | Selleck Chemicals |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye prote | Acros Organics |
| R phrase | R21: Harmful in contact with skin. | Acros Organics |
| R phrase | R21: Harmful in contact with skin.; R36/37/38: Irritating to eyes, respiratory system and skin.; R43: May cause sensitisation by skin contact. | Acros Organics |
| S phrase | S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
