In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 17 | Yes |
Popular Name: Anthracene-9-carboxylic acid Anthracene-9-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 723-62-6 , [723-62-6]
"9-Anthracenecarboxylic acid, 99%"
723-62-6; 9-Anthroic acid; A9C; Anthracene-9-carboxylic acid; C13699
Anthracene-9-carboxylic acid, 98+%
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) | 3.80 | 9.53 | -65.78 | 0 | 2 | -1 | 40 | 221.235 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 213 - 219 | Acros Organics |
MP | 219 | TCI |
MP | 220 - 222 | Enamine Building Blocks |
MP | 220...222 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
UniProt Database Links | ADT_DICDI; PRTN3_HUMAN | ChEBI |
Melting_Point | ca 218? dec. | Alfa-Aesar |
Melting_Point | ca 218° dec. | Alfa-Aesar |
Therapy | Cl transport inhibitor | SMDC MicroSource |
H phrase | H335: May cause respiratory irritation | Acros Organics |
H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation | Acros Organics |
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 | WO2007130882 | ChEBI |
Hazard | XI: Irritant | Acros Organics |