UCSF

ZINC02164110

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 13 Yes

Popular Name: 1-(3-(Trifluoromethyl)phenyl)ethanol 1-(3-(Trifluoromethyl)phenyl)eth…

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CAS Numbers: 127852-24-8 , 454-91-1 , 96789-80-9 , [454-91-1]

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) 2.37 1.22 -3.97 1 1 0 20 190.164 2 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 100 - 102 (p=17 torr) Acros Organics
Boiling_Point 100-102?/17mm Alfa-Aesar
Boiling_Point 100-102°/17mm Alfa-Aesar
BP 89-91°/4mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
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
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 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

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