| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 8 | Yes |
Popular Name: 3-Bromo-4-methylpyridine 3-Bromo-4-methylpyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13959-02-9 , 30766-03-1 , 3430-22-6 , [3430-22-6]
| 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) | 2.05 | 0 | -3.46 | 0 | 1 | 0 | 13 | 172.025 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 2.05 | 0.11 | -31.9 | 1 | 1 | 1 | 14 | 173.033 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 199 - 200 | Enamine Building Blocks |
| Boiling_Point | 199-200? | Alfa-Aesar |
| BP | 199-200° | Matrix Scientific |
| MP | 199...200 | Enamine Building Blocks |
| BP [°C] | 76 (p=10 torr) | Acros Organics |
| BP | 76 / 10 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H332: Harmful if inhaled; H302: Harmful if swallowed; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.