| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 7 | No |
Popular Name: 2-Bromobutyric acid 2-Bromobutyric acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 105-36-2 , 2385-70-8 , 2681-94-9 , 32659-49-7 , 80-58-0 , [80-58-0]
| 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) | 1.16 | 3.31 | -41.36 | 0 | 2 | -1 | 40 | 165.994 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 4 | Acros Organics |
| Melting_Point | 4? | Alfa-Aesar |
| Melting_Point | 4° | Alfa-Aesar |
| BP [°C] | 214 - 217 | Acros Organics |
| Purity | 95% | Fluorochem |
| Boiling_Point | 99-103?/10mm | Alfa-Aesar |
| Boiling_Point | 99-103°/10mm | Alfa-Aesar |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear 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 r | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R34: Causes burns. | 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.; S28A: After contact with skin, wash immediately with plenty of water. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.