UCSF

ZINC00388284

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 1-(4-Chlorophenyl)ethanol 1-(4-Chlorophenyl)ethanol

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CAS Numbers: 10/4/3391 12:00:00 AM , 1875-88-3 , 3391-10-4 , 75968-40-0 , 99528-42-4 , [3391-10-4] , [99528-42-4]

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) 2.18 -1.08 -3.76 1 1 0 20 156.612 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 136 / 20 TCI
BP [°C] 80 - 82 (p=1 torr) Acros Organics
Boiling_Point 80-82?/1mm Alfa-Aesar
Boiling_Point 80-82°/1mm Alfa-Aesar
BP 82-84°/1mm Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity 98% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics

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

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