UCSF

ZINC01693339

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 7 Yes

Popular Name: 2,5-Dimethylfuran 2,5-Dimethylfuran

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CAS Numbers: 625-86-5 , [625-86-5]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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 ↓

Vendor Notes

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

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.