| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 10 | No |
Popular Name: 2-Nitrotoluene 2-Nitrotoluene
Find On: PubMed — Wikipedia — Google
CAS Number: 88-72-2
| 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) | 2.30 | 5.84 | -7.14 | 0 | 3 | 0 | 46 | 137.138 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 4? | Alfa-Aesar |
| Melting_Point | 4° | Alfa-Aesar |
| Mp [°C] | 9 | Acros Organics |
| BP [°C] | 222 | Acros Organics |
| Boiling_Point | 224-226? | Alfa-Aesar |
| Boiling_Point | 224-226° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Purity | 99% | Fluorochem |
| Patent Database Links | EP1431278 | ChEBI |
| H phrase | H350: May cause cancer | Acros Organics |
| H phrase | H350: May cause cancer; H340: May cause genetic defects; H411: Toxic to aquatic life with long lasting effects; H302: Harmful if swallowed; H361f: Suspected of damaging fertility | Acros Organics |
| P phrase | P201: Obtain special instructions before use | Acros Organics |
| P phrase | P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P281: Use personal protective equipment as required; P273: Avoid release to the environment; P301+ P312: IF SWALLOWED: Call a POISON CENTER o | Acros Organics |
| R phrase | R45: May cause cancer. | Acros Organics |
| R phrase | R45: May cause cancer.; R46: May cause heritable genetic damage.; R22: Harmful if swallowed.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; R62: Possible risk of impaired fertility. | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use. | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid release to the environment. Refer to special instructions / safety | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | T: Toxic; N: Dangerous for the environment | Acros Organics |
