UCSF

ZINC01482154

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 5 No

Popular Name: beta-Propiolactone beta-Propiolactone

Find On: PubMed — Wikipedia — Google

CAS Number: 57-57-8

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) 0.31 1.79 -7.2 0 2 0 26 72.063 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 33 Acros Organics
Melting_Point 34? Alfa-Aesar
Melting_Point 34° Alfa-Aesar
Boiling_Point 161-163? Alfa-Aesar
Boiling_Point 161-163° Alfa-Aesar
BP [°C] 162 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
therap antiinfective MicroSource Spectrum
Therapy antiseptic SMDC Pharmakon
Patent Database Links EP1724338; US2007202177; US2008160225; WO2005005403 ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H330: Fatal if inhaled; H350: May cause cancer Acros Organics
P phrase P308 + P313: IF exposed or concerned: Get medical advice/attention Acros Organics
P phrase P308 + P313: IF exposed or concerned: Get medical advice/attention; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P33 Acros Organics
R phrase R45: May cause cancer. Acros Organics
R phrase R45: May cause cancer.; R26: Very toxic by inhalation.; R36/38: Irritating to eyes and skin. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Acros Organics
Hazard T+: Very toxic Acros Organics

Activity (Go SEA)

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

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