UCSF

ZINC03860240

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 10 No

Popular Name: 2-Bromoethyl phenyl ether 2-Bromoethyl phenyl ether

Find On: PubMed — Wikipedia — Google

CAS Numbers: 589-10-6 , [589-10-6]

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) 2.73 0.31 -4.49 0 1 0 9 201.063 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 135-137?/20mm Alfa-Aesar
Boiling_Point 135-137°/20mm Alfa-Aesar
BP [°C] 144 (p=40 torr) Acros Organics
MP 31 - 34 Enamine Building Blocks
Melting_Point 31-35? Alfa-Aesar
Melting_Point 31-35° Alfa-Aesar
MP 31...34 Enamine Building Blocks
Mp [°C] 33.5 - 34 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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