| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 13 | No |
Popular Name: 4-Bromo-2-(trifluoromethoxy)thiophenol 4-Bromo-2-(trifluoromethoxy)thio…
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CAS Numbers: 175278-15-6 , [175278-15-6]
4-bromo-2-(trifluoromethoxy)benzene-1-thiol
4-Bromo-2-(trifluoromethoxy)thiophenol 95+%
Benzenethiol,4-bromo-2-(trifluoromethoxy)-
| 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) | 3.87 | 0.24 | -37.94 | 0 | 1 | -1 | 9 | 272.065 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Matrix Scientific |
| BP [°C] | 96 - 98 (p=15 torr) | Acros Organics |
| BP | 96-98°/15mm | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP1049682A1; WO1999037630A1 | IBM Patent Data |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation; H332: Harmful if inhaled; H302: Harmful if swallowed; H312: Harmful in contact with skin | 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 |
| Warnings | TOXIC | Matrix Scientific |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.