| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 9 | Yes |
Popular Name: 3-Ethynylaniline 3-Ethynylaniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 207226-02-6 , 54060-30-9 , [207226-02-6] , [54060-30-9]
| 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) | 0.75 | 3.56 | -4.77 | 2 | 1 | 0 | 26 | 117.151 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 120 / 20 | TCI |
| Melting_Point | 27? | Alfa-Aesar |
| Melting_Point | 27° | Alfa-Aesar |
| Boiling_Point | 70?/1mm | Alfa-Aesar |
| Boiling_Point | 70°/1mm | Alfa-Aesar |
| BP | 78-80° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| BP [°C] | 92 - 93 (p=2 torr) | Acros Organics |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 99% | Fluorochem |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation; H226: Flammable liquid and vapor | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Store in Freezer | 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
