| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 9 | Yes |
Popular Name: 1-BroMo-4-ethynylbenzene 1-BroMo-4-ethynylbenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 766-96-1 , [766-96-1]
| 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) | 2.51 | 6.31 | -3.05 | 0 | 0 | 0 | 0 | 181.032 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 64 - 65 | Acros Organics |
| Melting_Point | 64-67? | Alfa-Aesar |
| MP | 64-67° | Oakwood Chemical |
| MP | 66 | TCI |
| BP [°C] | 71 - 72 (p=3 torr) | Acros Organics |
| Boiling_Point | 88-90?/16mm | Alfa-Aesar |
| Boiling_Point | 88-90°/16mm | Alfa-Aesar |
| BP | 92 / 12 | TCI |
| Purity | 95+% | Matrix Scientific |
| Purity | 96% | Fluorochem |
| Purity | 98% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H319: Causes serious eye irritation; H411: Toxic to aquatic life with long lasting effects | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | 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 protective gloves/protective clothing/eye | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.