UCSF

ZINC00499394

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: 2,3-Dichloro-5-(trifluoromethyl)pyridine 2,3-Dichloro-5-(trifluoromethyl)…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 69045-83-6 , 69045-84-7 , [69045-83-6] , [69045-84-7]

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) 3.22 2.15 -2.47 0 1 0 12 215.989 1 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 176 Acros Organics
BP 176° Fluorochem
BP 50-51°/21 Torr Matrix Scientific
Boiling_Point 79-81?/20mm Alfa-Aesar
Boiling_Point 79-81°/20mm Alfa-Aesar
Mp [°C] 8 - 9 Acros Organics
BP 80 / 20 TCI
BP 80°/20mm Matrix Scientific
Purity 97% Fluorochem
Purity 98% Matrix Scientific
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
H phrase H411: Toxic to aquatic life with long lasting effects; H317: May cause an allergic skin reaction; H332: Harmful if inhaled; H318: Causes serious eye damage; H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant-Harmful Matrix Scientific
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician; P280: Wear eye protection/face protection; P27 Acros Organics
R phrase R20/22: Harmful by inhalation and if swallowed. Acros Organics
R phrase R20/22: Harmful by inhalation and if swallowed.; R41: Risk of serious damage to eyes.; R43: May cause sensitisation by skin contact.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
S phrase S24: Avoid contact with skin.; 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.; S61: Avoid release to the environment. Refer to special instructions Acros Organics
Hazard XN: Harmful Acros Organics
Hazard XN: Harmful; N: Dangerous for the environment Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.