In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2004 | 7 | Yes |
Popular Name: 2,5-Dimethylfuran 2,5-Dimethylfuran
Find On: PubMed — Wikipedia — Google
CAS Numbers: 625-86-5 , [625-86-5]
2,5-Dimethyl-Furan;2,5-Dimethylfurane
2,5-Dimethylfuran; AI3-21212; CCRIS 3158; EINECS 210-914-3; Furan, 2,5-dimethyl-; LS-1503; NSC 6220
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) | 1.40 | 4.08 | -3.85 | 0 | 1 | 0 | 13 | 96.129 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 62 | Acros Organics |
Melting_Point | 62? | Alfa-Aesar |
Melting_Point | 62° | Alfa-Aesar |
BP [°C] | 92 - 94 | Acros Organics |
Boiling_Point | 92-93? | Alfa-Aesar |
Boiling_Point | 92-93° | Alfa-Aesar |
Hazard | F: Highly flammable | Acros Organics |
Hazard | F: Highly flammable; XN: Harmful | Acros Organics |
H phrase | H315: Causes skin irritation | Acros Organics |
H phrase | H315: Causes skin irritation; H317: May cause an allergic skin reaction; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed; H225: Highly flammable liquid and vapor | Acros Organics |
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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P302 + P352: IF ON SKIN: | Acros Organics |
R phrase | R11: Highly flammable. | Acros Organics |
R phrase | R11: Highly flammable.; R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R43: May cause sensitisation by skin contact. | Acros Organics |
S phrase | S9: Keep container in a well-ventilated place. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.