UCSF

ZINC11535731

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 12 No

Popular Name: methyl 2-bromo-2-phenylacetate methyl 2-bromo-2-phenylacetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3042-81-7 , 37167-62-7 , 37167-63-8

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 1.69 -5.44 0 2 0 26 229.073 3 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 113 (p=3 torr) Acros Organics
BP 172 / 53 TCI
purity 9.500000000000000e+001 Enamine Building Blocks
Boiling_Point 90-92?/0.5mm Alfa-Aesar
Boiling_Point 90-92°/0.5mm Alfa-Aesar
purity 95 Enamine Building Blocks
Purity 97% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R34: Causes burns. 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics

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