| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 8 | No |
Popular Name: 4-Methylthiophenol 4-Methylthiophenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10486-08-5 , 106-45-6
4-(Trifluoromethoxy)Thiophenol [169685-29-4]
4-(Trifluoromethyl)Thiophenol [825-83-2]; (4-Mercaptobenzotrifluoride)
| 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) | 2.62 | 5.31 | -2.17 | 0 | 0 | 0 | 0 | 124.208 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 195 | Acros Organics |
| Boiling_Point | 195? | Alfa-Aesar |
| Boiling_Point | 195° | Alfa-Aesar |
| BP | 196 | TCI |
| Mp [°C] | 40 - 44 | Acros Organics |
| Melting_Point | 40-44? | Alfa-Aesar |
| Melting_Point | 40-44° | Alfa-Aesar |
| MP | 41-43° | Oakwood Chemical |
| MP | 43 | TCI |
| Purity | 98% | Fluorochem |
| Purity | 98+% | Fluorochem |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H332: Harmful if inhaled; H312: Harmful in contact with skin; H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation | 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | 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 | XN: Harmful | Acros Organics |
