| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 15 | No |
Popular Name: 3,5-Dinitrobenzoyl chloride 3,5-Dinitrobenzoyl chloride
"3,5-Dinitrobenzoyl chloride, 99%"
3,5-Dinitrobenzoyl Chloride [for HPLC Labeling]
3,5-Dinitrobenzoyl chloride, 98+%
| 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) | 2.24 | 2.32 | -5.57 | 0 | 7 | 0 | 108 | 230.563 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 196 (p=11.25 torr) | Acros Organics |
| Boiling_Point | 196?/12mm | Alfa-Aesar |
| Boiling_Point | 196°/12mm | Alfa-Aesar |
| BP | 201 / 17 | TCI |
| Mp [°C] | 67 - 70 | Acros Organics |
| Melting_Point | 67-70? | Alfa-Aesar |
| Melting_Point | 67-70° | Alfa-Aesar |
| MP | 69 | TCI |
| MP | 70 | TCI |
| Purity | 97% | APIChem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H341: Suspected of causing genetic defects; EUH029: Contact with water liberates toxic gas | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; 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 CEN | Acros Organics |
| R phrase | R29: Contact with water liberates toxic gas. | Acros Organics |
| R phrase | R29: Contact with water liberates toxic gas.; R34: Causes burns.; R68: Possible risks of irreversible effects. | 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.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.