| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 14 | No |
Popular Name: 3-Nitrocinnamic acid 3-Nitrocinnamic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 1772-76-5 , 555-68-0 , [555-68-0]
"trans-3-Nitrocinnamic acid, 99%"
(2E)-3-(3-nitrophenyl)acrylic acid
(2E)-3-(3-nitrophenyl)acrylic acid; (E)-3-(3-Nitrophenyl)-2-propenoic acid
(2E)-3-(3-nitrophenyl)prop-2-enoic acid
(E)-3-(3-nitrophenyl)-2-propenoic acid
2-propenoic acid, 3-(3-nitrophenyl)-
2-propenoic acid, 3-(3-nitrophenyl)-, (2E)-
3-(3-nitrophenyl)prop-2-enoic acid
3-Nitrocinnamic acid, predominantly trans
3-Nitrocinnamic acid, predominantly trans, 98%
| 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) | 1.84 | 6.01 | -48.64 | 0 | 5 | -1 | 86 | 192.15 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P | 200-202 °C | Indofine |
| Mp [°C] | 202 - 204 | Acros Organics |
| MP | 202-204° | Fluorochem |
| Melting_Point | 202-206? | Alfa-Aesar |
| Melting_Point | 202-206° | Alfa-Aesar |
| MP | 202...204 | Enamine Building Blocks |
| MP | 205 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory 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; 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 | 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 |
