| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 9 | Yes |
Popular Name: 1-chloro-4-ethynylbenzene 1-chloro-4-ethynylbenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 873-73-4 , [873-73-4]
| 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) | 2.38 | 6.2 | -3.06 | 0 | 0 | 0 | 0 | 136.581 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 179? | Alfa-Aesar |
| BP | 179° | Matrix Scientific |
| Mp [°C] | 43 - 47 | Acros Organics |
| Melting_Point | 43-47? | Alfa-Aesar |
| MP | 43-47° | Matrix Scientific |
| MP | 45-47° | Oakwood Chemical |
| BP [°C] | 79 - 82 (p=23 torr) | Acros Organics |
| Purity | 98% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; XI: Irritant | Acros Organics |
| Warnings | FLAMMABLE | Matrix Scientific |
| Warnings | Flammable Solid | Matrix Scientific |
| H phrase | H228: Flammable solid | Acros Organics |
| H phrase | H228: Flammable solid; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302+ P352: IF ON SKIN: Wash with plenty of so | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.