| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2006 | 9 | No |
Popular Name: Thiobenzoic acid Thiobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 28170-13-0 , 602-41-5 , 98-91-9 , [602-41-5] , [98-91-9 , [98-91-9]
| 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) | 2.11 | 4.85 | -46.06 | 0 | 1 | -1 | 17 | 137.183 | 1 | ↓ |
| Ref Reference (pH 7) | 1.69 | 3.8 | -46.12 | 0 | 1 | -1 | 23 | 137.183 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 103-105?/12mm | Alfa-Aesar |
| Boiling_Point | 103-105°/12mm | Alfa-Aesar |
| BP [°C] | 122 (p=30 torr) | Acros Organics |
| Mp [°C] | 15 - 18 | Acros Organics |
| Melting_Point | 15-18? | Alfa-Aesar |
| Melting_Point | 15-18° | Alfa-Aesar |
| BP | 87 / 10 | TCI |
| PUBCHEM_PATENT_ID | EP0279263A2; EP0279263B1; EP0320628A1; EP0320628B1; EP0346939A1; EP0388429A1; EP0422079A1; EP0452908A3; EP1016541A2; EP1016919A2; EP1017016A2; EP1060909A2; EP1060910A2; US4207112; US4769387; US4792224; US4822809; US4822811; US4873259; US5112848; US5220059 | IBM Patent Data |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| PUBCHEM_PATENT_ID | US4766110; US4801721 | IBM Patent Data |
| Hazard | XI: Irritant | Acros Organics |
