| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | No |
Popular Name: 3,4-Dichloronitrobenzene 3,4-Dichloronitrobenzene
"3,4-Dichloronitrobenzene, 95%"
1,2-Dichloro-4-nitrobenzene, 99%
| 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) | 3.18 | 6.18 | -4.25 | 0 | 3 | 0 | 46 | 192.001 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 103 - 105 | Enamine Building Blocks |
| MP | 103...105 | Enamine Building Blocks |
| BP [°C] | 255 - 256 | Acros Organics |
| Boiling_Point | 255-256? | Alfa-Aesar |
| Boiling_Point | 255-256° | Alfa-Aesar |
| Mp [°C] | 39 - 45 | Acros Organics |
| Melting_Point | 39-43? | Alfa-Aesar |
| Melting_Point | 39-43° | Alfa-Aesar |
| MP | 41 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| 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; P270: Do not eat, drink or smoke when using th | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.