| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 10 | No |
Popular Name: o-Toluoyl chloride o-Toluoyl chloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 874-60-2 , 933-88-0 , [933-88-0]
2-(Trifluoromethoxy)Benzoyl Chloride [162046-61-9]
2-Methylbenzoyl chloride, 99%+
Benzoyl chloride, 2-methyl- (9CI)
Benzoyl chloride, 2-methyl-; EINECS 213-273-8; LS-188215; o-Toluoyl chloride
| 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) | 2.79 | 1.54 | -4.01 | 0 | 1 | 0 | 17 | 154.596 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 2? | Alfa-Aesar |
| Melting_Point | 2° | Alfa-Aesar |
| Boiling_Point | 212-214? | Alfa-Aesar |
| Boiling_Point | 212-214° | Alfa-Aesar |
| BP | 213 | TCI |
| Boiling_Point | 225-227? | Alfa-Aesar |
| Boiling_Point | 225-227° | Alfa-Aesar |
| BP [°C] | 88 - 90 (p=12 torr) | Acros Organics |
| Purity | 98% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R34: Causes burns. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.