| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 10 | Yes |
Popular Name: 2-Amino-5-chlorobenzonitrile 2-Amino-5-chlorobenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5922-60-1 , [5922-60-1]
2-Amino-5-chlorobenzonitrile, 97%
2-amino-5-chlorobenzonitrile; Benzonitrile, 2-amino-5-chloro-; EINECS 227-651-5; LS-184951
| 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) | 1.78 | 3.26 | -5.07 | 2 | 2 | 0 | 50 | 152.584 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 132 - 135 (p=0.5 torr) | Acros Organics |
| Boiling_Point | 132-135?/0.5mm | Alfa-Aesar |
| Boiling_Point | 132-135°/0.5mm | Alfa-Aesar |
| BP | 159 / 10 | TCI |
| Mp [°C] | 94 - 99 | Acros Organics |
| MP | 94-95° | Oakwood Chemical |
| Melting_Point | 94-97? | Alfa-Aesar |
| Melting_Point | 94-97° | Alfa-Aesar |
| Purity | 95+% | Matrix Scientific |
| MP | 96 | TCI |
| M.P | 96-99 °C | Indofine |
| Purity | 97% | Fluorochem |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H312: Harmful in contact with skin; H319: Causes serious eye irritation; H302: Harmful if swallowed; H332: Harmful if inhaled; H315: Causes skin 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 | 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 |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.