| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: 2-fluoro-4-hydroxybenzonitrile 2-fluoro-4-hydroxybenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 405-04-9 , 82380-18-5 , [82380-18-5]
"2-Fluoro-4-hydroxybenzonitrile, 99%"
2-Fluoro-4-hydroxybenzonitrile 99%
2-Fluoro-4-Hydroxybenzonitrile [82380-18-5]; (5-Cyano-3-fluorophenol)
2-Fluoro-4-hydroxybenzonitrile, 99%
| 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) | 1.31 | 2.08 | -7.65 | 1 | 2 | 0 | 44 | 137.113 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 123 - 125 | Acros Organics |
| MP | 123-125° | Matrix Scientific |
| Melting_Point | 123-126? | Alfa-Aesar |
| Melting_Point | 123-126° | Alfa-Aesar |
| MP | 123...125 | Enamine Building Blocks |
| MP | 124 - 125 | Enamine Building Blocks |
| MP | 125 | TCI |
| MP | 125 - 125 | Enamine Building Blocks |
| MP | 125 - 127 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 99% | Matrix Scientific |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H411: Toxic to aquatic life with long lasting effects; H318: Causes serious eye damage | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | P280: Wear eye protection/face protection; 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; P27 | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R41: Risk of serious damage to eyes.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | 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.; S39: Wear eye/face protection.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.