In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2004 | 10 | No |
Popular Name: 1-(2-Bromoethyl)-4-chlorobenzene 1-(2-Bromoethyl)-4-chlorobenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6529-53-9 , [6529-53-9]
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) | 3.53 | 7.18 | -2.44 | 0 | 0 | 0 | 0 | 219.509 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP [°C] | 85 (p=1 torr) | Acros Organics |
Purity | 95% | Fluorochem |
Purity | 97% | Fluorochem |
H phrase | H302: Harmful if swallowed | Acros Organics |
H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H411: Toxic to aquatic life with long lasting effects | Acros Organics |
P phrase | P273: Avoid release to the environment | Acros Organics |
P phrase | P273: Avoid release to the environment; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear p | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.