| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 30th, 2006 | 10 | Yes |
Popular Name: Benzotrifluoride Benzotrifluoride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 164112-72-5 , 175675-63-5 , 98-08-8 , 98-8-8
3-trifluoromethoxycinnamic acid
alpha,alpha,alpha-Trifluorotoluene
alpha,alpha,alpha-Trifluorotoluene, 99+%
ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE-D5
| 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) | 2.83 | 5.49 | -2.92 | 0 | 0 | 0 | 0 | 146.111 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 29 | Acros Organics |
| Melting_Point | 29? | Alfa-Aesar |
| Melting_Point | 29° | Alfa-Aesar |
| BP | 101-102° | Oakwood Chemical |
| Boiling_Point | 101-103? | Alfa-Aesar |
| Boiling_Point | 101-103° | Alfa-Aesar |
| BP [°C] | 102 | Acros Organics |
| mp | 97 - 98 | MolMall (formerly Molecular Diversity Preservation International) |
| Purity | 99% | Fluorochem |
| _Notes | An alternative solvent to dichloromethane with higher bp and lower toxicity. | Apollo Scientific |
| Patent Database Links | EP1344768; EP1502908; US2002016482; US2002028960; US2003004346; US2005148675; US2007197576; US2008275112 | ChEBI |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; N: Dangerous for the environment | Acros Organics |
| H phrase | H411: Toxic to aquatic life with long lasting effects | Acros Organics |
| H phrase | H411: Toxic to aquatic life with long lasting effects; H225: Highly flammable liquid and vapor | Acros Organics |
| P phrase | P273: Avoid release to the environment | Acros Organics |
| P phrase | P273: Avoid release to the environment; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P240: Ground/Bond container and receiving equipment | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | 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.; S23: Do not breathe gas/fumes/vapour/spray.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.