| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 11 | Yes |
Popular Name: 5-Bromooxindole 5-Bromooxindole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 20870-78-4 , 39795-60-3 , [20870-78-4]
1,3-Dihydro--5-bromoindol-2-one
5-bromo-1,3-dihydro-2H-indol-2-one
| 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) | 1.89 | 3.57 | -5.75 | 1 | 2 | 0 | 29 | 212.046 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.85 | 2.25 | -40.35 | 1 | 2 | -1 | 39 | 211.038 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 214 - 216 | Enamine Building Blocks |
| MP | 214...216 | Enamine Building Blocks |
| melting_point | 216 - 218 | KeyOrganics |
| Mp [°C] | 219 - 221 | Acros Organics |
| MP | 220-224°C | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0156603A2; EP0175551A1; EP0929520A1; US4556672; US4652658; US4665194; US4690943; US4730004; US4752609; US4791131; US4808601; US6051593; US6114371; US6130238; US6147106; WO1996023770A1; WO1998050356A1; WO1999048868A2; WO1999061422A1; WO2000008202A2 | IBM Patent Data |
| 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 | 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 | XN: Harmful | Acros Organics |
