In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 11 | Yes |
Popular Name: 3-Chloro-5-(trifluoromethyl)pyridine 3-Chloro-5-(trifluoromethyl)pyri…
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CAS Numbers: 554405-17-3 , 85148-26-1 , [85148-26-1]
3-Chloro-5-(trifluoromethyl)pyridine 97%
3-Chloro-5-(trifluoromethyl)pyridine, 97%
3-Chloro-5-trifluoromethylpyridine
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) | 2.42 | 2.4 | -2.28 | 0 | 1 | 0 | 13 | 181.544 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 131.5 - 133 | Acros Organics |
BP | 144° | Matrix Scientific |
Boiling_Point | 50-51?/4mm | Alfa-Aesar |
Boiling_Point | 50-51°/4mm | Alfa-Aesar |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 98% | Matrix Scientific |
H phrase | H332: Harmful if inhaled | Acros Organics |
H phrase | H332: Harmful if inhaled; H319: Causes serious eye irritation; H315: Causes skin irritation; H312: Harmful in contact with skin; H335: May cause respiratory irritation; H302: Harmful if swallowed | Acros Organics |
Warnings | IRRITANT, IRRITANT-HARMFUL | Matrix Scientific |
P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; 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 |
Warnings | Toxic | Matrix Scientific |
Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.