UCSF

ZINC06661362

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 13 Yes

Popular Name: 4-(trifluoromethyl)benzoic acid 4-(trifluoromethyl)benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 25832-58-0 , 328-90-5 , 455-24-3 , [25832-58-0] , [455-24-3]

Download: MOL2 SDF SMILES Flexibase

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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) 2.74 5.12 -43.37 0 2 -1 40 189.112 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 219 - 220 Enamine Building Blocks
Mp [°C] 219 - 222 Acros Organics
MP 219-220° Matrix Scientific
MP 219...220 Enamine Building Blocks
Melting_Point 220-222? Alfa-Aesar
Melting_Point 220-222° Alfa-Aesar
MP 223 TCI
Boiling_Point 247?/753mm Alfa-Aesar
BP 247°/753mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% APIChem
Purity 98% Matrix Scientific
Purity 99% Fluorochem
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 S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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