UCSF

ZINC02039606

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 10 Yes

Popular Name: 3'-Chloroacetophenone 3'-Chloroacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1341-24-8 , 99-02-5 , [99-02-5]

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) 2.49 1.5 -5.09 0 1 0 17 154.596 1 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 227 - 229 Acros Organics
Boiling_Point 227-229? Alfa-Aesar
Boiling_Point 227-229° Alfa-Aesar
BP 230 TCI
Purity 97% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H302: Harmful if swallowed; H315: Causes skin irritation; H330: Fatal if inhaled; H335: May cause respiratory irritation Acros Organics
P phrase P310: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P310: Immediately call a POISON CENTER or doctor/physician; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R26: Very toxic by inhalation.; R36/37/38: Irritating to eyes, respiratory system and skin. 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.; S28A: After contact with skin, wash immediately with plenty of water.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: Acros Organics
Hazard T+: Very toxic Acros Organics

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