UCSF

ZINC00119696

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 15 No

Popular Name: 3-(Trifluoromethyl)cinnamic acid 3-(Trifluoromethyl)cinnamic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 67801-07-4 , 779-89-5 , [779-89-5]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.78 3.28 -47.59 0 2 -1 40 215.15 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 132-136? Alfa-Aesar
Melting_Point 132-136° Alfa-Aesar
Mp [°C] 134 - 137 Acros Organics
MP 135 TCI
MP 135 - 137 Enamine Building Blocks
MP 135-137° Matrix Scientific
MP 135...137 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
H phrase H335: May cause respiratory irritation Acros Organics
H phrase 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 Acros Organics
R phrase R37/38: Irritating to respiratory system and skin. Acros Organics
S phrase S37: Wear suitable gloves. Acros Organics
Hazard XI: Irritant Acros Organics

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