| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2010 | 12 | No |
Popular Name: Benzene-1,4-dicarbonyl chloride Benzene-1,4-dicarbonyl chloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100-20-9 , 50679-08-8 , [50679-08-8]
1,4-Benzenedicarbonyl dichloride
alpha-[4-(1,1-Dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinebutanol
| 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) | 2.84 | 5 | -4.72 | 0 | 2 | 0 | 34 | 203.024 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 265 | Acros Organics |
| Boiling_Point | 265? | Alfa-Aesar |
| Boiling_Point | 265° | Alfa-Aesar |
| Mp [°C] | 79 - 83 | Acros Organics |
| Melting_Point | 79-83? | Alfa-Aesar |
| Melting_Point | 79-83° | Alfa-Aesar |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H331: Toxic if inhaled | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P303 + P361 + P353: IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| R phrase | R23: Toxic by inhalation. | Acros Organics |
| R phrase | R23: Toxic by inhalation.; R34: Causes burns. | 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.; S28B: After contact with skin, wash immediately with plenty of water and soap.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protectio | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.