| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2006 | 7 | Yes |
Popular Name: 4-bromo-3-methylpyrazole 4-bromo-3-methylpyrazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13808-64-5 , [13808-64-5]
"4-Bromo-3-methyl-1H-pyrazole, 97%"
4-Bromo-3-(methyl-d3)-pyrazole
4-Bromo-3-methyl-1H-pyrazole, 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) | 1.28 | 2.13 | -4.24 | 1 | 2 | 0 | 29 | 161.002 | 0 | ↓ |
| Ref Reference (pH 7) | 1.28 | 2.16 | -4.74 | 1 | 2 | 0 | 29 | 161.002 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 73-77? | Alfa-Aesar |
| Melting_Point | 73-77° | Alfa-Aesar |
| MP | 76 | TCI |
| MP | 76 - 78 | Enamine Building Blocks |
| MP | 76...78 | Enamine Building Blocks |
| MP | 77-79° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0166419A2; EP0166419B1; EP0166420A2; EP0166420B1; EP0166421A2; EP0166421B1; EP0483249A1; EP0673783A2; EP0673783A3; EP0673783B1; EP0743573A3; EP0743573B1; EP0743574A3; EP0743574B1; EP0802173A1; US3957480; US4258170; US4522642; US4523940; US4545803; US551 | IBM Patent Data |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye 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.