UCSF

ZINC00157163

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 8 No

Popular Name: 4-pyridinecarboxaldehyde 4-pyridinecarboxaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7216-42-4 , 872-85-5 , N/A , [872-85-5]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.44 2.47 -7.83 0 2 0 30 107.112 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 4? Alfa-Aesar
Melting_Point 4° Alfa-Aesar
BP 187 TCI
Boiling_Point 198? Alfa-Aesar
Boiling_Point 198° Alfa-Aesar
BP [°C] 77 - 78 (p=12 torr) Acros Organics
Purity 97% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H317: May cause an allergic skin reaction; H314: Causes severe skin burns and eye damage 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; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P310: Immediately call a POISON CENTER or doctor/physician; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R20: Harmful by inhalation. Acros Organics
R phrase R20: Harmful by inhalation.; R34: Causes burns.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics

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

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