| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2004 | 6 | Yes |
Popular Name: 4-Bromo-1H-pyrazole 4-Bromo-1H-pyrazole
Find On: PubMed — Wikipedia — Google
CAS Number: 2075-45-8
| 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) | 1.06 | 1.58 | -4.64 | 1 | 2 | 0 | 29 | 146.975 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 250 - 260 | Acros Organics |
| Boiling_Point | 250-260? lit. | Alfa-Aesar |
| BP | 250-260° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Mp [°C] | 93 - 96 | Acros Organics |
| Melting_Point | 93-96? lit. | Alfa-Aesar |
| MP | 93-96° | Oakwood Chemical |
| purity | 95 | Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0562833A1; EP0562833B1; EP0835252A1; EP0937072A1; US5616579; US6015825; WO1997001552A1 | IBM Patent Data |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | 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; 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.