| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 4-Chloro-2-fluorophenylacetonitrile 4-Chloro-2-fluorophenylacetonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 75279-53-7 , [75279-53-7]
2-(4-chloro-2-fluorophenyl)acetonitrile
2-Fluoro-4-chlorobenzyl cyanide
4-Chloro-2-fluorophenylacetonitrile 95%
4-Chloro-2-fluorophenylacetonitrile, 98+%
| 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) | 2.67 | 3.32 | -8.76 | 0 | 1 | 0 | 24 | 169.586 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 133 - 137 (p=15 torr) | Acros Organics |
| Melting_Point | 37-41? | Alfa-Aesar |
| Melting_Point | 37-41° | Alfa-Aesar |
| Purity | 97% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Purity | 98.4 | Fluorochem |
| Purity | 98.5 | Fluorochem |
| H phrase | H332: Harmful if inhaled | Acros Organics |
| H phrase | H332: Harmful if inhaled; H335: May cause respiratory irritation; H312: Harmful in contact with skin; H315: Causes skin irritation; H302: Harmful if swallowed; H319: Causes serious eye irritation | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; 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 | Matrix Scientific |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.