| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 4-(DIMETHYLAMINO)BENZONITRILE 4-(DIMETHYLAMINO)BENZONITRILE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1197-19-9 , [1197-19-9]
"4-(Dimethylamino)benzonitrile, 95%"
4-(Dimethylamino)benzonitrile, 95%
4-Dimethylaminobenzonitrile, 98%
benzonitrile, 4-(dimethylamino)-
| 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) | 1.80 | 5.27 | -5.67 | 0 | 2 | 0 | 27 | 146.193 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 317-319? | Alfa-Aesar |
| Boiling_Point | 317-319° | Alfa-Aesar |
| BP [°C] | 318 | Acros Organics |
| Mp [°C] | 70 - 76 | Acros Organics |
| MP | 72-75° | Oakwood Chemical |
| Melting_Point | 72-76? | Alfa-Aesar |
| Melting_Point | 72-76° | Alfa-Aesar |
| MP | 75 | TCI |
| MP | 76 - 78 | Enamine Building Blocks |
| MP | 76...78 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| 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 | Acros Organics |
| 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; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: Remove to fresh air a | 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 | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
