UCSF

ZINC01662388

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 No

Popular Name: Triethyl 4-phosphonocrotonate Triethyl 4-phosphonocrotonate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10236-14-3 , 20345-62-4 , 42516-28-9 , [10236-14-3]

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) 1.12 3.72 -11.44 0 5 0 61 250.231 9 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 133 - 135 (p=0.4 torr) Acros Organics
Boiling_Point 133-135?/0.4mm Alfa-Aesar
BP 133-135°/0.4mm Matrix Scientific
Purity 90+% Matrix Scientific
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
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
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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