UCSF

ZINC01665976

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: 2',4'-Dichloroacetophenone 2',4'-Dichloroacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2234-16-4 , [2234-16-4]

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) 3.12 1.31 -7.28 0 1 0 17 189.041 1 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 242 Acros Organics
BP 242° Oakwood Chemical
Boiling_Point 245-247? Alfa-Aesar
Boiling_Point 245-247° Alfa-Aesar
Mp [°C] 29 - 34 Acros Organics
MP 31-32° Oakwood Chemical
Melting_Point 31-34? Alfa-Aesar
Melting_Point 31-34° Alfa-Aesar
MP 33 - 34 Enamine Building Blocks
MP 33...34 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% APIChem
Purity 98% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H412: Harmful to aquatic life with long lasting effects Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P273: Avoid release to the environment Acros Organics
P phrase P273: Avoid release to the environment; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
Hazard XN: Harmful Acros Organics

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