In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2005 | 11 | Yes |
Popular Name: 3-Bromo-4-fluorobenzoic acid 3-Bromo-4-fluorobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1007-16-5 , 33216-52-3 , [1007-16-5]
3-Bromo-4-fluorobenzoic acid 98%
3-Bromo-4-fluorobenzoic acid, 96%
3-Bromo-4-fluorobenzoic 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) | 2.75 | 0.75 | -42.25 | 0 | 2 | -1 | 40 | 218.001 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 138 - 140 | Acros Organics |
MP | 138-140° | Matrix Scientific |
Melting_Point | 138-141? | Alfa-Aesar |
Melting_Point | 138-141° | Alfa-Aesar |
MP | 139 | TCI |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Matrix Scientific |
Purity | 97% | APIChem |
Purity | 98% | Fluorochem |
H phrase | H335: May cause respiratory irritation | Acros Organics |
H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed | 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
R phrase | R22: Harmful if swallowed. | Acros Organics |
R phrase | R22: Harmful if swallowed.; 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 |
Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.