| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 14 | Yes |
Popular Name: 4-Oxo-4H-1-benzopyran-2-carboxylic acid 4-Oxo-4H-1-benzopyran-2-carboxyl…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 129799-15-1 , 23915-80-2 , 4940-39-0 , [4940-39-0]
23915-80-2; Campel (TN); Chromocarb diethylamine; Chromocarb diethylazan; D07696
4-Oxo-4H-1-benzopyran-2-carboxylic acid, 97%
4-Oxo-4H-1-benzopyran-2-carboxylicacid
4-oxo-4H-chromene-2-carboxylic acid
Chromone-2-carboxylic acid [4940-39-0]
Chromone-2-carboxylic acid, 97%
| 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) | 1.63 | 5.82 | -45.65 | 0 | 4 | -1 | 70 | 189.146 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Spasmolytic agent | ZereneX Building Blocks |
| MP | 256 - 260 | Enamine Building Blocks |
| MP | 257 - 259 | Enamine Building Blocks |
| MP | 257...259 | Enamine Building Blocks |
| Mp [°C] | 260 | Acros Organics |
| M.P. | 260 C (dec) | Indofine |
| MP | 260o C (d) | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Melting_Point | ca 260? dec. | Alfa-Aesar |
| Melting_Point | ca 260° dec. | Alfa-Aesar |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Target | Others | Selleck Chemicals |
| 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 |
| biological_use | Sedative | IBScreen Bioactives |
| SOLUBILITY | Soluble in DMF | Indofine |
| biological_use | Spasmolytic agent | IBScreen Bioactives IBScreen Bioactives |
| Therapy | vascular protectant | SMDC Pharmakon |
| APPEARANCE | White fluffy powder | Indofine |
| Hazard | XI: Irritant | Acros Organics |
