| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 14 | Yes |
Popular Name: 4-Cyanobiphenyl 4-Cyanobiphenyl
Find On: PubMed — Wikipedia — Google
CAS Numbers: 27104-69-4 , 2920-38-9 , [2920-38-9]
| 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) | 3.49 | 3.11 | -5.8 | 0 | 1 | 0 | 23 | 179.222 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 193 / 20 | TCI |
| Mp [°C] | 85 - 87 | Acros Organics |
| M.P | 85-87 °C | Indofine |
| Melting_Point | 85-87? | Alfa-Aesar |
| MP | 85-87° | Matrix Scientific |
| MP | 86 - 88 | Enamine Building Blocks |
| MP | 86...88 | Enamine Building Blocks |
| MP | 87 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H312: Harmful in contact with skin; H335: May cause respiratory irritation; H302: Harmful if swallowed; H332: Harmful if inhaled; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | 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 |
| PUBCHEM_PATENT_ID | US5106530; US5221759; US5277838; US5304667; USRE35462 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
