| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 14 | No |
Popular Name: 4-Nitrocinnamic acid 4-Nitrocinnamic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 619-89-6 , 882-06-4 , 882-06-4, 619-89-6 , [619-89-6]
(2E)-3-(4-nitrophenyl)acrylic acid
(2E)-3-(4-Nitrophenyl)AcrylicAcid
(2E)-3-(4-nitrophenyl)prop-2-enoic acid
(E)-3-(4-nitrophenyl)-2-propenoic acid
(E)-3-(4-Nitrophenyl)acrylic acid
2-propenoic acid, 3-(4-nitrophenyl)-
2-propenoic acid, 3-(4-nitrophenyl)-, (2E)-
3-(4-nitrophenyl)prop-2-enoic acid
P-Nitrocinnamic acid, 98%, predominantly trans
| 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) | 1.87 | 6.01 | -45.6 | 0 | 5 | -1 | 86 | 192.15 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 289 - 291 | Enamine Building Blocks |
| MP | 289...291 | Enamine Building Blocks |
| Mp [°C] | 290.7 - 300.7 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >99% | APIChem |
| Melting_Point | ca 290? dec. | Alfa-Aesar |
| Melting_Point | ca 290° dec. | Alfa-Aesar |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P261: Avoid breathing dus | Acros Organics |
| R phrase | 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 | XI: Irritant | Acros Organics |
