| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 14 | Yes |
Popular Name: 4-(Trifluoromethoxy)phenylacetonitrile 4-(Trifluoromethoxy)phenylaceton…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 49561-96-8 , [49561-96-8]
"4-(Trifluoromethoxy)phenylacetonitrile, 98%"
2-(4-(Trifluoromethoxy)phenyl)acetonitrile
4-(Trifluoromethoxy)benzyl cyanide
4-(Trifluoromethoxy)phenyl acetonitrile
4-(Trifluoromethoxy)phenylacetonitrile 98%
4-(Trifluoromethoxy)phenylacetonitrile, 98%
4-Trifluoromethoxybenzyl cyanide
Benzeneacetonitrile, 4-(trifluoromethoxy)-
| 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) | 2.87 | 4.29 | -9.03 | 0 | 2 | 0 | 33 | 201.147 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 28 - 30 | Acros Organics |
| Melting_Point | 28-30? | Alfa-Aesar |
| Melting_Point | 28-30° | Alfa-Aesar |
| MP | 30-33° | Matrix Scientific |
| MP | 31 - 33 | Enamine Building Blocks |
| MP | 31...33 | Enamine Building Blocks |
| MP | 32 - 33 | Enamine Building Blocks |
| MP | 33 - 33 | Enamine Building Blocks |
| MP | 33 - 35 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| BP | 96 / 4 | TCI |
| Purity | 98% | Matrix Scientific |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H332: Harmful if inhaled; H312: Harmful in contact with skin; H302: Harmful if swallowed; H335: May cause respiratory irritation; H315: Causes skin irritation | Acros Organics |
| Warnings | IRRITANT-HARMFUL, TOXIC | 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 | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Warnings | Toxic/Irritant-Harmful | Matrix Scientific |
| Hazard | XN: Harmful | Acros Organics |
