UCSF

ZINC05240957

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 11 No

Popular Name: 3-Fluorophenylglyoxal hydrate 3-Fluorophenylglyoxal hydrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 121247-01-6 , [121247-01-6]

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) 1.42 5.2 -9.75 0 2 0 34 152.124 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 66-68? Alfa-Aesar
Melting_Point 66-68° Alfa-Aesar
Mp [°C] 76 - 78 Acros Organics
MP 76-78° Matrix Scientific
Purity 97% Matrix Scientific
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled; H317: May cause an allergic skin reaction; H302: Harmful if swallowed; H312: Harmful in contact with skin Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P304 + P341: IF INHALED: If breathing is difficult, remove to fresh air and keep at rest in a position comfortable for Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R42/43: May cause sensitisation by inhalation and skin contact. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; 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, s Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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