UCSF

ZINC01852604

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 11 Yes

Popular Name: 2',6'-Dichloroacetophenone 2',6'-Dichloroacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 03/05/40 , 2040-05-3 , 5/3/2040 12:00:00 AM , [2040-05-3]

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) 3.10 1.3 -6.35 0 1 0 17 189.041 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 176-180?/83mm Alfa-Aesar
Boiling_Point 176-180°/83mm Alfa-Aesar
Mp [°C] 41 - 42 Acros Organics
Melting_Point 41-44? Alfa-Aesar
Melting_Point 41-44° Alfa-Aesar
MP 42-44° Oakwood Chemical
BP 65° Oakwood Chemical
Purity 98% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H332: Harmful if inhaled; H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P30 Acros Organics
R phrase R20/22: Harmful by inhalation and if swallowed. Acros Organics
R phrase R20/22: Harmful by inhalation and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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