In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 10 | Yes |
Popular Name: 2-fluorobenzoic acid 2-fluorobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 445-29-4 , 490-97-1 , 708-06-5 , 90-97-1 , [445-29-4] , [490-97-1] , [708-06-5]
2-Fluorobenzoate; 2-Fluorobenzoic acid; 445-29-4; C02359
2-Fluorobenzoic acid sodium salt
2-Fluorobenzoic Acid [445-29-4]
2-Fluorobenzoic acid; o-Fluorobenzoic acid; ortho-Fluorobenzoic 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) | 1.63 | 4.15 | -54.42 | 0 | 2 | -1 | 40 | 139.105 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
mp | 122 - 124 | MolMall (formerly Molecular Diversity Preservation International) |
Melting_Point | 122-125? | Alfa-Aesar |
Melting_Point | 122-125° | Alfa-Aesar |
Mp [°C] | 123 - 125 | Acros Organics |
MP | 123-125° | Matrix Scientific |
MP | 123...125 | Enamine Building Blocks |
MP | 126 | TCI |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97% | Matrix Scientific |
Purity | 99% | Fluorochem |
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 |
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 | WO2005097773 | ChEBI |
Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.