UCSF

ZINC00085619

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 4'-Bromo-2-phenylacetophenone 4'-Bromo-2-phenylacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2001-29-8 , 90-90-4 , [2001-29-8]

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) 4.07 9.37 -7.62 0 1 0 17 275.145 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 109 - 112 Acros Organics
Melting_Point 109-112? Alfa-Aesar
Melting_Point 109-112° Alfa-Aesar
MP 112 TCI
Boiling_Point 350? Alfa-Aesar
Boiling_Point 350° Alfa-Aesar
Melting_Point 79-83? Alfa-Aesar
Melting_Point 79-83° Alfa-Aesar
Purity 97% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase 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; 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 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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