| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 11 | Yes |
Popular Name: 2-fluoro-6-iodobenzoic acid 2-fluoro-6-iodobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 111771-08-5 , [111771-08-5]
"2-Fluoro-6-iodobenzoic acid, 98%"
2-Fluoro-6-iodobenzoic acid 98%
2-Fluoro-6-iodobenzoic 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) | 2.66 | 0.53 | -52.18 | 0 | 2 | -1 | 40 | 265.001 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 3.12 | -3.25 | 1 | 1 | 0 | 12 | 165.176 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 118 - 120 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 118-120° | Matrix Scientific |
| MP | 121 - 123 | Enamine Building Blocks |
| Mp [°C] | 121 - 126 | Acros Organics |
| MP | 121...123 | Enamine Building Blocks |
| Melting_Point | 122-126? | Alfa-Aesar |
| Melting_Point | 122-126° | Alfa-Aesar |
| MP | 124 - 126 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye 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 | 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 |
No pre-computed analogs available. Try a structural similarity search.