| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 11 | No |
Popular Name: 3-(4-pyridyl)acrylic acid 3-(4-pyridyl)acrylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1126-74-5 , 5337-79-1 , 84228-93-3 , [84228-93-3]
(2E)-3-Pyridin-4-ylacrylic acid
(E)-3-(pyridin-4-yl)acrylic acid
2-propenoic acid, 3-(4-pyridinyl)-, (2E)-
3-(4-Pyridyl)acrylic acid, 97%
| 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) | 0.62 | 3.61 | -47.19 | 0 | 3 | -1 | 53 | 148.141 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.62 | 3.89 | -64.8 | 1 | 3 | 0 | 54 | 149.149 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 264 - 266 | Enamine Building Blocks |
| MP | 264...266 | Enamine Building Blocks |
| MP | 265-269° | Oakwood Chemical |
| Melting_Point | 276-280? | Alfa-Aesar |
| Melting_Point | 276-280° | Alfa-Aesar |
| Mp [°C] | 280 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation | 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 |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
