| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 9 | Yes |
Popular Name: 4-Chloro-3-methylphenol 4-Chloro-3-methylphenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 59-50-7 , [15733-22-9] , [59-50-7]
4-Chloro-3-methylphenol; 4-Chloro-m-cresol; 59-50-7; C14331; Chlorocresol
4-Chloro-m-cresol Zone Refined (number of passes:26)
| 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) | 2.51 | 2.74 | -3.38 | 1 | 1 | 0 | 20 | 142.585 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 234-236? | Alfa-Aesar |
| Boiling_Point | 234-236° | Alfa-Aesar |
| BP [°C] | 235 | Acros Organics |
| Mp [°C] | 63 - 65 | Acros Organics |
| Melting_Point | 64-68? | Alfa-Aesar |
| Melting_Point | 64-68° | Alfa-Aesar |
| MP | 65 - 68 | Enamine Building Blocks |
| MP | 65...68 | Enamine Building Blocks |
| MP | 66 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | APIChem |
| therap | antiinfectant | MicroSource Spectrum |
| Therapy | antiseptic (topical) | SMDC Pharmakon |
| Target | Calcium Channel | Selleck Chemicals |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H317: May cause an allergic skin reaction; H312: Harmful in contact with skin; H318: Causes serious eye damage; H400: Very toxic to aquatic life | Acros Organics |
| Target | Others | Selleck Chemicals |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | 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 for several minutes. Remove contact lenses, if presen | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; R41: Risk of serious damage to eyes.; R43: May cause sensitisation by skin contact.; R50: Very toxic to aquatic organisms. | 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.; S61: Avoid release to the environment. Refer to special instructions / safet | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.