| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2006 | 10 | Yes |
Popular Name: 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine 4-Chloro-7H-pyrrolo[2,3-d]pyrimi…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 16372-08-0 , 3680-69-1 , [3680-69-1]
4-Chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
4-Chloro-7H-pyrrolo(2,3,D)pyrimidine
4-Chloro-7H-pyrrolo(2,3-d)pyrimidine
4-Chloro-7H-pyrrolo[2,3d]pyrimidine
4-Chloropyrrolo(2,3-D)pyrimidine
4-Chloropyrrolo[2,3-d]pyrimidine
6-Chloro-7-deazapurine, 98.5%+
| 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) | 1.35 | 4.01 | -9.25 | 1 | 3 | 0 | 42 | 153.572 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 180.9 - 182.5 | Acros Organics |
| MP | 183-184° | Matrix Scientific |
| MP | 188 | TCI |
| Melting_Point | 190-192? | Alfa-Aesar |
| Melting_Point | 190-192° | Alfa-Aesar |
| MP | 195 - 197 | Enamine Building Blocks |
| MP | 195...197 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 96% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Purity | 99% | Fluorochem |
| H phrase | H315: Causes skin irritation | 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/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P341: IF INHALED: If breathing is difficult, remove to fresh air and keep at rest in a position comfortable for breathing; P30 | 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 |
| S phrase | S22: Do not breathe dust.; 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. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.