UCSF

ZINC00152275

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 No

Popular Name: 5-nitro-2-furaldehyde 5-nitro-2-furaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 698-63-5 , 92-55-7 , [698-63-5] , [92-55-7]

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) 1.07 2.95 -7.01 0 5 0 76 141.082 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 228? Alfa-Aesar
Boiling_Point 228° Alfa-Aesar
Mp [°C] 34 - 35 Acros Organics
Melting_Point 34-38? Alfa-Aesar
Melting_Point 34-38° Alfa-Aesar
MP 37 - 39 Enamine Building Blocks
MP 37...39 Enamine Building Blocks
Melting_Point 87-92? Alfa-Aesar
Melting_Point 87-92° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% APIChem
Hazard F: Highly flammable Acros Organics
H phrase H228: Flammable solid Acros Organics
H phrase H341: Suspected of causing genetic defects Acros Organics
P phrase P201: Obtain special instructions before use Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P403 + P233: Store in a well-ventilated place. Keep container tightly closed Acros Organics
R phrase R11: Highly flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics

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

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