| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2006 | 11 | Yes |
Popular Name: 5-Phenyl-1H-tetrazole 5-Phenyl-1H-tetrazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 18039-42-4 , [18039-42-4]
.; 5-phenyltetrazolyl 2-(4-hydroxyphenyl)ethylamine salt
5-phenyltetrazolyl 2-(4-hydroxyphenyl)ethylamine salt monohydrate
| 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) | 1.37 | 2.88 | -40.61 | 0 | 4 | -1 | 53 | 145.145 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.37 | 2.96 | -7.78 | 1 | 4 | 0 | 54 | 146.153 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 215 | TCI |
| MP | 216 - 218 | Enamine Building Blocks |
| MP | 216...218 | Enamine Building Blocks |
| MP | 216° | Matrix Scientific |
| MP | 216°(dec.) | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Melting_Point | ca 215? dec. | Alfa-Aesar |
| Melting_Point | ca 215° dec. | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0091810A2; EP0767404A3; EP0767404B1; EP0774687A1; US4012286; US4254213; US4666842; US5110745; US5486459; US5721094; US5851742; WO1995008639A1; WO2000047739A2 | IBM Patent Data |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; XN: Harmful | Acros Organics |
| H phrase | H228: Flammable solid | Acros Organics |
| H phrase | H228: Flammable solid; H302: Harmful if swallowed; EUH044: Risk of explosion if heated under confinement | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R22: Harmful if swallowed.; R44: Risk of explosion if heated under confinement. | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| PUBCHEM_PATENT_ID | US4673738; US4794109; US5144027; WO2000075101A1 | IBM Patent Data |
