| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 5 | No |
Popular Name: 3-Bromo-2-methylpropene 3-Bromo-2-methylpropene
Find On: PubMed — Wikipedia — Google
CAS Number: 1458-98-6
| 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) | 2.24 | 3.94 | -1.39 | 0 | 0 | 0 | 0 | 135.004 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| BP [°C] | 94 - 95 | Acros Organics |
| BP | 94-95° | Matrix Scientific |
| MP | 94...95 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Matrix Scientific |
| Purity | 97% | Matrix Scientific |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; C: Corrosive | Acros Organics |
| Warnings | Flammable/Refrigerate/Lachrymator | Matrix Scientific |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H332: Harmful if inhaled; H318: Causes serious eye damage; H225: Highly flammable liquid and vapor | Acros Organics |
| Warnings | LACHRYMATOR, FLAMMABLE | Matrix Scientific |
| 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 | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R20/22: Harmful by inhalation and if swallowed.; R34: Causes burns. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; 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.; S45: In case of accid | Acros Organics |
| PUBCHEM_PATENT_ID | US4119628; US4148794 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.