UCSF

ZINC02162162

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 13 No

Popular Name: 4-Chloro-1-(4-chlorophenyl)butan-1-one 4-Chloro-1-(4-chlorophenyl)butan…

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CAS Numbers: 40877-09-6 , [40877-09-6]

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) 3.29 1.4 -8.02 0 1 0 17 217.095 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 28-32? Alfa-Aesar
Melting_Point 28-32° Alfa-Aesar
Mp [°C] 29 - 30 Acros Organics
Purity 97% Fluorochem
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase 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 easy to do. Continue rinsing Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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