| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2004 | 8 | No |
Popular Name: 4-nitro-1h-pyrazole 4-nitro-1h-pyrazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2075-46-9 , [2075-46-9]
| 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) | 0.21 | 1.69 | -8.73 | 1 | 5 | 0 | 75 | 113.076 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 160-162? | Alfa-Aesar |
| MP | 160-162° | Matrix Scientific |
| Mp [°C] | 161 - 162 | Acros Organics |
| MP | 161 - 163 | Enamine Building Blocks |
| MP | 161...163 | Enamine Building Blocks |
| MP | 162 | TCI |
| MP | 163-165° | Oakwood Chemical |
| melting_point | 165 - 167 | KeyOrganics |
| BP | 323 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0033716A1; US4271071; US4435003; US4480096 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0402751A1; EP0402751B1; EP0456257A1; EP0459349B1; EP0490224A2; EP0490224B1; EP0527378A1; EP0527378B1; US4832731; US5085686; US5185027; US5246914; US5254446; US5308828; US5362876 | IBM Patent Data |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air a | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.