| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 10 | Yes |
Popular Name: 3-Chlorobenzoic acid 3-Chlorobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 535-80-8 , 937-14-4 , [535-80-8]
3-chlorobenzoic acid, ion(1-); m-chlorobenzoate; mCl-benzoate anion
3-CHLOROBENZOIC ACID; [535-80-8]
3-Cholro-benzoate;3-Cholro-benzoic acid;m-Chlorobenzoate;m-Chlorobenzoic acid
| 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) | 2.50 | 5.57 | -45.8 | 0 | 2 | -1 | 40 | 155.56 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P | 153-157 °C | Indofine |
| MP | 153-157° | Oakwood Chemical |
| Mp [°C] | 154 - 157 | Acros Organics |
| Melting_Point | 154-160? | Alfa-Aesar |
| Melting_Point | 154-160° | Alfa-Aesar |
| MP | 155 - 157 | Enamine Building Blocks |
| MP | 155...157 | Enamine Building Blocks |
| MP | 157 | TCI |
| Boiling_Point | 274-276? | Alfa-Aesar |
| Boiling_Point | 274-276° | Alfa-Aesar |
| UniProt Database Links | 3HBCL_THAAR | ChEBI |
| UniProt Database Links | 3HBCL_THAAR; TFDA_BURSR; TFDA_CUPPJ | ChEBI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Patent Database Links | EP0962459; EP1375468; EP1754705; US2003166727; US2003203966; US2004205909; US2005038240; US2006084671 | ChEBI |
| 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 |
| Warnings | IRRITANT | Matrix Scientific |
| 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 | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Patent Database Links | US2005004148 | ChEBI |
| Hazard | XI: Irritant | Acros Organics |
