UCSF

ZINC01729595

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 10 No

Popular Name: Terephthalaldehyde Terephthalaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 623-27-8 , [623-27-8]

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) 1.52 3.96 -12.54 0 2 0 34 134.134 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 114 - 116 Acros Organics
Melting_Point 114-117? Alfa-Aesar
Melting_Point 114-117° Alfa-Aesar
MP 115 TCI
BP [°C] 245 - 248 Acros Organics
Boiling_Point 245? Alfa-Aesar
Boiling_Point 245° Alfa-Aesar
Purity 90% Fluorochem
Purity 99% APIChem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; 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 Acros Organics
R phrase R36/37: Irritating to eyes and respiratory system. 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

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