UCSF

ZINC00153704

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 16 No

Popular Name: 3-[4-(trifluoromethoxy)phenyl]acrylic acid 3-[4-(trifluoromethoxy)phenyl]ac…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 199679-35-1 , 783-13-1 , [783-13-1]

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) 2.88 2.61 -47.71 0 3 -1 49 231.149 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.850000000000000e+002 - 1.860000000000000e+002 KeyOrganics
Mp [°C] 178 - 179 Acros Organics
melting_point 185 - 186 KeyOrganics
MP 185-186° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
Warnings IRRITANT Matrix Scientific
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 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. Acros Organics
Hazard XI: Irritant Acros Organics

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