| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2005 | 13 | Yes |
Popular Name: 4-chloro-1-benzothiophene-2-carboxylic acid 4-chloro-1-benzothiophene-2-carb…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 23967-57-9 , [23967-57-9]
4-chloro-1-benzothiophene-2-carboxylicacid
4-Chloro-benzo[b]thiophene-2-carboxylic acid
4-chlorobenzo[b]thiophene-2-carboxylic acid
4-Chlorobenzo[b]thiophene-2-carboxylic acid, 97%
benzo[b]thiophene-2-carboxylic acid, 4-chloro-
| 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) | 3.35 | -0.41 | -51.5 | 0 | 2 | -1 | 40 | 211.649 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 180 - 182 | Enamine Building Blocks |
| MP | 180...182 | Enamine Building Blocks |
| melting_point | 220 - 223 | KeyOrganics |
| MP | 220-223° | Matrix Scientific |
| Mp [°C] | 255 - 256.7 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Melting_Point | ca 233? subl. | Alfa-Aesar |
| Melting_Point | ca 233° subl. | Alfa-Aesar |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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; P304 + P341: IF INHALED: If breathing is difficult, remove to fresh air and keep at rest in a position comfortabl | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; 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 |
No pre-computed analogs available. Try a structural similarity search.