| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 6 | Yes |
Popular Name: 2-chlorothiophene 2-chlorothiophene
(1R,2S)-2-phenyl-1-cyclopropanecarboxylic acid ethyl ester
| 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) | 2.40 | 4.04 | -2.04 | 0 | 0 | 0 | 0 | 118.588 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 71.9 | Acros Organics |
| Melting_Point | 72? | Alfa-Aesar |
| Melting_Point | 72° | Alfa-Aesar |
| BP [°C] | 127 - 129 | Acros Organics |
| Boiling_Point | 127-129? | Alfa-Aesar |
| Boiling_Point | 127-129° | Alfa-Aesar |
| BP | 128 | TCI |
| Purity | 96% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Warnings | Flammable/Toxic/Stench | Matrix Scientific |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled; H225: Highly flammable liquid and vapor | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. | 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.; S28B: After contact with skin, wash immediately with plenty of water and soap.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S38: In case of insufficient ventilation, | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Warnings | TOXIC, STENCH, FLAMMABLE | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.