| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 10 | Yes |
Popular Name: 5-Methyl-1H-benzotriazole 5-Methyl-1H-benzotriazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 136-85-6 , 64665-57-2 , [136-85-6]
"5-Methyl-1H-benzotriazole, 98%"
5-methyl-1H-1,2,3-benzotriazole
5-Methyl-1H-benzotriazole, 98%
5-Methyl-1H-benzotriazole, 98+%
| 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) | 1.71 | 2.33 | -7.45 | 1 | 3 | 0 | 42 | 133.154 | 0 | ↓ |
| Ref Reference (pH 7) | 1.71 | 2.32 | -7.1 | 1 | 3 | 0 | 42 | 133.154 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 2.44 | -6.35 | 1 | 3 | 0 | 42 | 133.154 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 210 - 212 (p=12 torr) | Acros Organics |
| Boiling_Point | 210-212?/12mm | Alfa-Aesar |
| Boiling_Point | 210-212°/12mm | Alfa-Aesar |
| BP | 210-212°C/12 mm | Fluorochem |
| BP | 323 | TCI |
| Melting_Point | 77-84? | Alfa-Aesar |
| Melting_Point | 77-84° | Alfa-Aesar |
| Mp [°C] | 80 - 84 | Acros Organics |
| MP | 80-82°C | Fluorochem |
| MP | 83 | TCI |
| Purity | 95% | Fluorochem |
| Purity | 98% | Fluorochem |
| Purity | 99.0% min | APIChem |
| PUBCHEM_PATENT_ID | EP0005804A1; EP0009795A2; EP0009837A2; EP0010001A2; EP0010025A2; EP0011565A1; EP0011566A1; EP0011567A1; EP0014594A1; EP0014633A2; EP0017025A1; EP0025863A1; EP0029720A1; EP0032456A1; EP0038092A1; EP0044277A2; EP0045480A1; EP0045692A2; EP0045693A2; EP004569 | IBM Patent Data |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R37: Irritating to respiratory system. | Acros Organics |
| S phrase | S36: Wear suitable protective clothing. | Acros Organics |
| S phrase | S36: Wear suitable protective clothing.; S38: In case of insufficient ventilation, wear suitable respiratory equipment. | Acros Organics |
| PUBCHEM_PATENT_ID | US4149886; US4950764 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
