| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 14th, 2004 | 15 | Yes |
Popular Name: 2-Cyano-4'-methylbiphenyl 2-Cyano-4'-methylbiphenyl
Find On: PubMed — Wikipedia — Google
CAS Numbers: 114772-53-1 , 93717-55-6 , [114772-53-1]
"4'-Methyl-2-cyanobiphenyl, 98%"
2-(4-methylphenyl)benzonitrile
2-(4-Tolyl)-benzonitrile, 99%+
2-Cyano-4'-methylbiphenyl, 98+%
4'-Methyl-2-cyanobiphenyl, 98%
4'-Methyl-[1,1'-biphenyl]-2-carbonitrile
4'-Methylbiphenyl-2-carbonitrile
4'-methyl[1,1'-biphenyl]-2-carbonitrile
| 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) | 3.89 | 3.21 | -6.98 | 0 | 1 | 0 | 23 | 193.249 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 48 - 50 | KeyOrganics |
| Mp [°C] | 49 - 53 | Acros Organics |
| Melting_Point | 49-53? | Alfa-Aesar |
| Melting_Point | 49-53° | Alfa-Aesar |
| MP | 53 | TCI |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
| Boiling_Point | >320? | Alfa-Aesar |
| Boiling_Point | >320° | Alfa-Aesar |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled; H315: Causes skin irritation; H335: May cause respiratory irritation; 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 | 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 |
| Hazard | XN: Harmful | Acros Organics |
